0 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,0|2,1,1]=4 14 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,0|2,1,1]=4 15 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,0|2,1,1]=4 16 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,0|2,1,1]=4 17 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.66 CC(C)C=Cc1c[nH]cn1 271570a_100016257149_100000756875 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.66 CC(C)C=Cc1cc[nH]n1 271570a_100016257149_100000062575 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,0,0,0,0,0|1,1,1]=3 28 B10R1.66 CC(C)C=Cc1ccoc1 271570a_100016257149_100011215275 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.66 CC(C)C=Cc1ccsc1 271570a_100016257149_100000738268 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.66 CC(C)C=Cc1ccsn1 271570a_100016257149_100009818082 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.66 CC(C)C=Cc1cncs1 271570a_100016257149_100011934649 [0,0,0,0,0,0|2,1,1]=4 33 B10R1.66 CC(C)C=Cc1cscn1 271570a_100016257149_100000751502 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.66 CC(C)C=Cc1ncc[nH]1 271570a_100016257149_100025796157 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.66 CC(C)C=Cc1nccs1 271570a_100016257149_100000211983 [0,0,0,0,0,0|2,1,1]=4 37 B10R1.66 CC(C)CCN1CC=CC1 269982a_100015195280_100000210312 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.66 CC(C)COc1ccsc1 34a_100000106738_100000210624 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.66 CC(C)COc1ccsc1 7a_100000106738_100000210760 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000210624_100000756875 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000756875_100000210760 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.66 CC(C)CSc1cc[nH]n1 62a_100000062575_100000210760 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.66 CC(C)CSc1cc[nH]n1 62a_100000210624_100000062575 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,0,0,0,0,0|2,1,0]=3 47 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,0,0,0,0,0|2,1,0]=3 48 B10R1.66 CC(C)CSc1ccoc1 62a_100000210624_100011215275 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.66 CC(C)CSc1ccoc1 62a_100011215275_100000210760 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.66 CC(C)CSc1ccon1 62a_100000210624_100009818083 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.66 CC(C)CSc1ccon1 62a_100009818083_100000210760 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.66 CC(C)CSc1ccsc1 62a_100000210624_100000738268 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.66 CC(C)CSc1ccsc1 62a_100000738268_100000210760 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.66 CC(C)CSc1ccsn1 62a_100000210624_100009818082 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.66 CC(C)CSc1ccsn1 62a_100009818082_100000210760 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.66 CC(C)CSc1cncs1 62a_100000210624_100011934649 [0,0,0,0,0,0|3,1,0]=4 59 B10R1.66 CC(C)CSc1cncs1 62a_100011934649_100000210760 [0,0,0,0,0,0|3,1,0]=4 60 B10R1.66 CC(C)CSc1cscn1 62a_100000210624_100000751502 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.66 CC(C)CSc1cscn1 62a_100000751502_100000210760 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.66 CC(C)CSc1ncc[nH]1 62a_100000210624_100025796157 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.66 CC(C)CSc1ncc[nH]1 62a_100025796157_100000210760 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.66 CC(C)CSc1nccs1 62a_100000210624_100000211983 [0,0,0,0,0,0|3,1,0]=4 67 B10R1.66 CC(C)CSc1nccs1 62a_100000211983_100000210760 [0,0,0,0,0,0|3,1,0]=4 68 B10R1.66 CC(C)NCc1c[nH]cn1 2230a_100138425928_100000707719 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.66 CC(C)NCc1c[nH]cn1 34a_100138425928_100000707719 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.66 CC(C)NCc1cc[nH]n1 207a_100138425928_100000738523 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,0,0|1,0,0]=1 72 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,0,0|1,0,0]=1 73 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,0,0|1,0,0]=1 74 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,0,0,0,0,0|1,1,0]=2 75 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,0,0,0,0,0|1,1,0]=2 76 B10R1.66 CC(C)NCc1ccn[nH]1 2230a_100138425928_100000728653 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.66 CC(C)NCc1ccn[nH]1 34a_100138425928_100000728653 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.66 CC(C)NCc1ccoc1 207a_100138425928_100011215517 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.66 CC(C)NCc1ccoc1 2230a_100015206860_100000210206 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.66 CC(C)NCc1ccoc1 34a_100015206860_100000210206 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.66 CC(C)NCc1ccon1 2230a_100138425928_100000234950 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.66 CC(C)NCc1ccon1 34a_100138425928_100000234950 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.66 CC(C)NCc1ccsc1 207a_100138425928_100000188534 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.66 CC(C)NCc1ccsc1 2230a_100000186416_100000210206 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.66 CC(C)NCc1ccsc1 2230a_100138425928_100011261437 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.66 CC(C)NCc1ccsc1 34a_100000186416_100000210206 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.66 CC(C)NCc1ccsc1 34a_100138425928_100011261437 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.66 CC(C)NCc1cn[nH]c1 207a_100138425928_100016992096 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.66 CC(C)NCc1cnc[nH]1 207a_100138425928_100000742939 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.66 CC(C)NCc1cncs1 207a_100138425928_100000749870 [0,0,0,0,0,0|2,1,0]=3 91 B10R1.66 CC(C)NCc1cncs1 2230a_100016987365_100000210206 [0,0,0,0,0,0|2,1,0]=3 92 B10R1.66 CC(C)NCc1cncs1 2230a_100138425928_100015185245 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.66 CC(C)NCc1cncs1 34a_100138425928_100015185245 [0,0,0,0,0,0|2,1,0]=3 94 B10R1.66 CC(C)NCc1cscn1 207a_100138425928_100000743575 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.66 CC(C)NCc1cscn1 2230a_100015185402_100000210206 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.66 CC(C)NCc1cscn1 2230a_100138425928_100000205941 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.66 CC(C)NCc1cscn1 34a_100138425928_100000205941 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.66 CC(C)NCc1ncc[nH]1 207a_100138425928_100000743867 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.66 CC(C)NCc1ncc[nH]1 2230a_100138425928_100016991755 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.66 CC(C)NCc1ncc[nH]1 34a_100138425928_100016991755 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.66 CC(C)NCc1nccs1 207a_100138425928_100000750902 [0,0,0,0,0,0|2,1,0]=3 105 B10R1.66 CC(C)NCc1nccs1 2230a_100000740555_100000210206 [0,0,0,0,0,0|2,1,0]=3 106 B10R1.66 CC(C)NCc1nccs1 2230a_100138425928_100015184050 [0,0,0,0,0,0|2,1,0]=3 107 B10R1.66 CC(C)NCc1nccs1 34a_100138425928_100015184050 [0,0,0,0,0,0|2,1,0]=3 108 B10R1.66 CC(C)NCc1ncon1 34a_100138425928_100000233494 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.66 CC(C)NCc1nnc[nH]1 2230a_200015183720_100000210206 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.66 CC(C)NCn1cncn1 2230a_100138425928_200020645497 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.66 CC(C)NCn1cncn1 34a_100138425928_200020645497 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.66 CC(C)NN=C1C=CCC1 4a_100000741168_100000239507 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.66 CC(C)NN=C1CC=CC1 4a_100000741168_100000766571 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.66 CC(C)OCC1CC=CC1 34a_100000688395_100000210206 [0,0,0,0,0,0|1,1,2]=4 115 B10R1.66 CC(C)OCN1CC=CC1 269982a_100015195280_100000709892 [0,0,0,0,0,0|2,1,1]=4 116 B10R1.66 CC(C)OCc1c[nH]cn1 34a_100000212225_100000707719 [0,0,0,0,0,0|2,1,0]=3 117 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,0,0|0,1,0]=1 118 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,0,0,0,0,0|0,2,0]=2 119 B10R1.66 CC(C)OCc1ccn[nH]1 34a_100000212225_100000728653 [0,0,0,0,0,0|2,1,0]=3 120 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,0,0,0,0,0|1,1,0]=2 121 B10R1.66 CC(C)OCc1ccoc1 34a_100011215357_100000210206 [0,0,0,0,0,0|2,1,0]=3 122 B10R1.66 CC(C)OCc1ccon1 34a_100000212225_100000234950 [0,0,0,0,0,0|2,1,0]=3 123 B10R1.66 CC(C)OCc1ccsc1 34a_100000212225_100011261437 [0,0,0,0,0,0|2,1,0]=3 124 B10R1.66 CC(C)OCc1ccsc1 34a_100011215551_100000210206 [0,0,0,0,0,0|2,1,0]=3 125 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [0,0,0,0,0,0|1,2,0]=3 126 B10R1.66 CC(C)OCc1cscn1 34a_100000212225_100000205941 [0,0,0,0,0,0|2,1,0]=3 127 B10R1.66 CC(C)OCc1ncc[nH]1 34a_100000212225_100016991755 [0,0,0,0,0,0|2,1,0]=3 128 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,0,0,0,0,0|1,1,0]=2 129 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,0,0,0,0,0|1,1,0]=2 130 B10R1.66 CC(C)OCc1nccs1 34a_100000212225_100015184050 [0,0,0,0,0,0|1,2,0]=3 131 B10R1.66 CC(C)OCc1ncon1 34a_100000212225_100000233494 [0,0,0,0,0,0|3,1,0]=4 132 B10R1.66 CC(C)OCn1cccn1 34a_100000731028_100000210206 [0,0,0,0,0,0|2,1,0]=3 133 B10R1.66 CC(C)OCn1cncn1 34a_100000212225_200020645497 [0,0,0,0,0,0|3,1,0]=4 134 B10R1.66 CC(C)SCC1=NCCN1 62a_100000210206_100000737910 [0,0,0,0,0,0|2,0,2]=4 135 B10R1.66 CC(C)SCC1=NCCN1 62a_100000737910_100000210206 [0,0,0,0,0,0|2,0,2]=4 136 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,0,0,0,0,0|0,0,4]=4 137 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,0,0,0,0,0|0,0,4]=4 138 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [0,0,0,0,0,0|1,0,3]=4 139 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [0,0,0,0,0,0|1,0,3]=4 140 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000210206_100000707719 [0,0,0,0,0,0|2,0,0]=2 141 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000707719_100000210206 [0,0,0,0,0,0|2,0,0]=2 142 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000210206_100000728653 [0,0,0,0,0,0|2,0,0]=2 143 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000728653_100000210206 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.66 CC(C)SCc1ccon1 62a_100000210206_100000234950 [0,0,0,0,0,0|2,0,0]=2 145 B10R1.66 CC(C)SCc1ccon1 62a_100000234950_100000210206 [0,0,0,0,0,0|2,0,0]=2 146 B10R1.66 CC(C)SCc1ccsc1 62a_100000210206_100011233845 [0,0,0,0,0,0|2,0,0]=2 147 B10R1.66 CC(C)SCc1ccsc1 62a_100011261437_100000210206 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.66 CC(C)SCc1cncs1 62a_100000210206_100015185245 [0,0,0,0,0,0|1,1,0]=2 149 B10R1.66 CC(C)SCc1cncs1 62a_100015185245_100000210206 [0,0,0,0,0,0|1,1,0]=2 150 B10R1.66 CC(C)SCc1cscn1 62a_100000205941_100000210206 [0,0,0,0,0,0|2,0,0]=2 151 B10R1.66 CC(C)SCc1cscn1 62a_100000210206_100000205941 [0,0,0,0,0,0|2,0,0]=2 152 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100000210206_100016991755 [0,0,0,0,0,0|2,0,0]=2 153 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100016991755_100000210206 [0,0,0,0,0,0|2,0,0]=2 154 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,0,0,0,0,0|1,0,0]=1 155 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,0,0,0,0,0|1,0,0]=1 156 B10R1.66 CC(C)SCc1nccs1 62a_100000210206_100015184050 [0,0,0,0,0,0|1,1,0]=2 157 B10R1.66 CC(C)SCc1nccs1 62a_100015184050_100000210206 [0,0,0,0,0,0|1,1,0]=2 158 B10R1.66 CC(C)SCc1ncon1 62a_100000210206_100000233494 [0,0,0,0,0,0|3,0,0]=3 159 B10R1.66 CC(C)SCc1ncon1 62a_100000233494_100000210206 [0,0,0,0,0,0|3,0,0]=3 160 B10R1.66 CC(C)SCc1nnn[nH]1 62a_100000210206_100000765167 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.66 CC(C)SCc1nnn[nH]1 62a_100000765167_100000210206 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.66 CC(C)SCn1cncn1 62a_100000210206_200020645497 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.66 CC(C)SCn1cncn1 62a_200020645497_100000210206 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,0,0|2,0,1]=3 165 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,0,0,0,0,0|2,1,1]=4 166 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,0,0,0,0,0|3,0,1]=4 167 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,0,0,0,0,0|3,0,1]=4 168 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,0,0|3,0,0]=3 169 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,0,0|3,0,0]=3 170 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,0,0,0,0,0|3,1,0]=4 171 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,0,0,0,0,0|3,1,0]=4 172 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,0,0,0,0,0|4,0,0]=4 175 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,0,0,0,0,0|4,0,0]=4 178 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,0,0|2,1,0]=3 179 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,0,0|2,1,0]=3 180 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,0,0,0,0,0|4,0,0]=4 181 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,0,0,0,0,0|4,0,0]=4 182 B10R1.66 CN(C)CCn1cccn1 2230a_100102631434_100000685285 [0,0,0,0,0,0|4,0,0]=4 183 B10R1.66 CN(C)CCn1cccn1 269982a_100102631434_100000685285 [0,0,0,0,0,0|4,0,0]=4 184 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,0,0|3,0,0]=3 185 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,0,0|3,0,0]=3 186 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,0,0,0,0,0|3,1,0]=4 187 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,0,0,0,0,0|3,1,0]=4 188 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,0,0,0,0,0|4,0,0]=4 190 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,0,0,0,0,0|4,0,0]=4 191 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,0,0,0,0,0|4,0,0]=4 192 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,0,0,0,0,0|4,0,0]=4 193 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,0|3,0,1]=4 195 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,0|2,0,1]=3 196 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,0|2,1,1]=4 197 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|1,0,0]=2 200 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,0,0|1,1,0]=3 201 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,0,0|2,1,0]=4 206 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,0,0|2,1,0]=4 210 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,0,0|2,1,0]=4 213 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,0,0|2,1,0]=4 214 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,0,0|1,0,0]=2 223 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,0,0|1,0,0]=2 225 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,0,0|1,1,0]=3 226 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,0,0|1,1,0]=3 227 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,0,0|1,1,0]=3 228 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [1,0,0,0,0,0|2,1,0]=4 242 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [1,0,0,0,0,0|2,1,0]=4 243 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [1,0,0,0,0,0|2,1,0]=4 244 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [1,0,0,0,0,0|2,1,0]=4 245 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [1,0,0,0,0,0|2,1,0]=4 256 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [1,0,0,0,0,0|2,1,0]=4 257 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [1,0,0,0,0,0|2,1,0]=4 258 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [1,0,0,0,0,0|2,1,0]=4 259 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [1,0,0,0,0,0|2,1,0]=4 260 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,0,0|0,1,0]=2 261 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,0,0|0,2,0]=3 262 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [1,0,0,0,0,0|2,1,0]=4 263 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [1,0,0,0,0,0|1,1,0]=3 264 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,0,0|2,1,0]=4 265 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [1,0,0,0,0,0|2,1,0]=4 266 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,0,0|2,1,0]=4 267 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,0,0|2,1,0]=4 268 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [1,0,0,0,0,0|1,2,0]=4 269 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [1,0,0,0,0,0|2,1,0]=4 270 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,0,0,0,0,0|2,1,0]=4 271 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,0,0,0,0,0|1,1,0]=3 272 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,0,0,0,0,0|1,1,0]=3 273 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [1,0,0,0,0,0|1,2,0]=4 274 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [1,0,0,0,0,0|2,1,0]=4 275 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [1,0,0,0,0,0|1,1,0]=3 284 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [1,0,0,0,0,0|1,1,0]=3 285 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,0,0,0,0,0|1,0,0]=2 290 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,0,0,0,0,0|1,0,0]=2 291 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [1,0,0,0,0,0|1,1,0]=3 292 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [1,0,0,0,0,0|1,1,0]=3 293 B9R1.12 CCSCc1ncon1 62a_100000210202_100000233494 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.12 CCSCc1ncon1 62a_100000233494_100000210202 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.12 CCSCn1cncn1 62a_100000210202_200020645497 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.12 CCSCn1cncn1 62a_200020645497_100000210202 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,0,0|2,0,0]=3 299 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,0,0|2,1,0]=4 300 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,0,0|2,1,0]=4 301 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,0,0|2,1,0]=4 302 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,0,0|2,1,0]=4 303 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,0,0|2,1,0]=4 304 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,0,0|2,1,0]=4 305 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,0,0|2,1,0]=4 306 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,0,0|2,1,0]=4 307 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,0,0|2,1,0]=4 310 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,0,0|2,1,0]=4 311 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,0,0,0,0,0|1,1,0]=3 317 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [1,0,0,0,0,0|1,2,0]=4 318 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [1,0,0,0,0,0|2,1,0]=4 319 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [1,0,0,0,0,0|2,1,0]=4 320 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [1,0,0,0,0,0|2,1,0]=4 329 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [1,0,0,0,0,0|2,1,0]=4 330 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [1,0,0,0,0,0|3,0,0]=4 333 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [1,0,0,0,0,0|3,0,0]=4 334 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [1,0,0,0,0,0|2,1,0]=4 337 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [1,0,0,0,0,0|2,1,0]=4 338 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,0,0|2,1,0]=4 343 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,0,0|2,1,0]=4 344 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,0,0|2,1,0]=4 345 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,0,0|2,1,0]=4 346 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,0,0|2,1,0]=4 347 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,0,0|2,1,0]=4 348 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,1,0,0,0,0|1,0,1]=3 349 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,1,0,0,0,0|1,0,1]=3 350 B11R1.25 C#CC(C)NCc1cccs1 270004a_100000707721_100000209959 [0,1,0,0,0,0|1,1,1]=4 351 B11R1.25 C#CC(C)NCc1cnco1 270004a_100000707721_100000064291 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.25 C#CC(C)NCc1ncco1 2230a_100000707721_103436540062 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.25 C#CC(C)NCc1ncco1 270004a_100000707721_100000064290 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.25 C#CC(C)NCc1ncco1 34a_100000707721_103436540062 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,1,0,0,0,0|0,1,1]=3 356 B11R1.25 C#CC(C)OCc1cccs1 34a_100000211240_200000035995 [0,1,0,0,0,0|0,2,1]=4 357 B11R1.25 C#CC(C)OCc1ccno1 34a_100000740478_200000035995 [0,1,0,0,0,0|1,1,1]=4 358 B11R1.25 C#CC(C)OCc1ncco1 34a_100000062594_200000035995 [0,1,0,0,0,0|1,1,1]=4 359 B11R1.25 C#CC(C)SCc1c[nH]cn1 62a_200000035995_100000707719 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.25 C#CC(C)SCc1ccn[nH]1 62a_200000035995_100000728653 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.25 C#CC(C)SCc1ccon1 62a_200000035995_100000234950 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.25 C#CC(C)SCc1ccsc1 62a_200000035995_100011233845 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.25 C#CC(C)SCc1cncs1 62a_200000035995_100015185245 [0,1,0,0,0,0|1,1,1]=4 364 B11R1.25 C#CC(C)SCc1cscn1 62a_200000035995_100000205941 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.25 C#CC(C)SCc1ncc[nH]1 62a_200000035995_100016991755 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.25 C#CC(C)SCc1ncco1 62a_200000035995_103436540062 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.25 C#CC(C)SCc1nccs1 62a_200000035995_100015184050 [0,1,0,0,0,0|1,1,1]=4 368 B11R1.25 C#C[C@@H](C)OCc1ncco1 34a_100009815206_103436540062 [0,1,0,0,0,0|1,1,1]=4 369 B11R1.25 C#C[C@@H](C)OCc1ncco1 7a_100009815206_103436540062 [0,1,0,0,0,0|1,1,1]=4 370 B11R1.25 C=CC(C)OCc1ncco1 34a_100000695699_103436540062 [0,1,0,0,0,0|1,1,1]=4 371 B11R1.25 C=CC(C)SCc1c[nH]cn1 62a_100011215867_100000707719 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.25 C=CC(C)SCc1ccn[nH]1 62a_100011215867_100000728653 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.25 C=CC(C)SCc1ccon1 62a_100011215867_100000234950 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.25 C=CC(C)SCc1ccsc1 62a_100011215867_100011233845 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.25 C=CC(C)SCc1cncs1 62a_100011215867_100015185245 [0,1,0,0,0,0|1,1,1]=4 376 B11R1.25 C=CC(C)SCc1cscn1 62a_100011215867_100000205941 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.25 C=CC(C)SCc1ncc[nH]1 62a_100011215867_100016991755 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.25 C=CC(C)SCc1ncco1 62a_100011215867_103436540062 [0,1,0,0,0,0|1,0,1]=3 379 B11R1.25 C=CC(C)SCc1nccs1 62a_100011215867_100015184050 [0,1,0,0,0,0|1,1,1]=4 380 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,1,0,0,0,0|1,0,1]=3 381 B11R1.25 CC(C#N)NCc1cccs1 2230a_100000211653_100000184139 [0,1,0,0,0,0|1,1,1]=4 382 B11R1.25 CC(C#N)NCc1ncco1 2230a_100000737613_103436540062 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.25 CC(C#N)NCc1ncco1 2230a_100016994969_100000184139 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.25 CC(C#N)OCc1ncco1 34a_100011218135_103436540062 [0,1,0,0,0,0|1,1,1]=4 385 B11R1.25 CC(C#N)SCc1c[nH]cn1 62a_100000703298_100000707719 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.25 CC(C#N)SCc1c[nH]cn1 62a_100000707719_100000703298 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.25 CC(C#N)SCc1ccn[nH]1 62a_100000703298_100000728653 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.25 CC(C#N)SCc1ccn[nH]1 62a_100000728653_100000703298 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.25 CC(C#N)SCc1ccon1 62a_100000234950_100000703298 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.25 CC(C#N)SCc1ccon1 62a_100000703298_100000234950 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.25 CC(C#N)SCc1ccsc1 62a_100000703298_100011233845 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.25 CC(C#N)SCc1ccsc1 62a_100011261437_100000703298 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.25 CC(C#N)SCc1cncs1 62a_100000703298_100015185245 [0,1,0,0,0,0|1,1,1]=4 394 B11R1.25 CC(C#N)SCc1cncs1 62a_100015185245_100000703298 [0,1,0,0,0,0|1,1,1]=4 395 B11R1.25 CC(C#N)SCc1cscn1 62a_100000205941_100000703298 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.25 CC(C#N)SCc1cscn1 62a_100000703298_100000205941 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.25 CC(C#N)SCc1ncc[nH]1 62a_100000703298_100016991755 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.25 CC(C#N)SCc1ncc[nH]1 62a_100016991755_100000703298 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.25 CC(C#N)SCc1ncco1 62a_100000703298_103436540062 [0,1,0,0,0,0|1,0,1]=3 400 B11R1.25 CC(C#N)SCc1ncco1 62a_103436540062_100000703298 [0,1,0,0,0,0|1,0,1]=3 401 B11R1.25 CC(C#N)SCc1nccs1 62a_100000703298_100015184050 [0,1,0,0,0,0|1,1,1]=4 402 B11R1.25 CC(C#N)SCc1nccs1 62a_100015184050_100000703298 [0,1,0,0,0,0|1,1,1]=4 403 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.25 CC(CF)OCc1c[nH]cn1 34a_100016041109_100000707719 [0,1,0,0,0,0|2,1,0]=4 406 B11R1.25 CC(CF)OCc1ccn[nH]1 34a_100016041109_100000728653 [0,1,0,0,0,0|2,1,0]=4 407 B11R1.25 CC(CF)OCc1ccn[nH]1 7a_100016041109_100000728653 [0,1,0,0,0,0|2,1,0]=4 408 B11R1.25 CC(CF)OCc1ccon1 34a_100016041109_100000234950 [0,1,0,0,0,0|2,1,0]=4 409 B11R1.25 CC(CF)OCc1ccon1 7a_100016041109_100000234950 [0,1,0,0,0,0|2,1,0]=4 410 B11R1.25 CC(CF)OCc1ccsc1 34a_100016041109_100011261437 [0,1,0,0,0,0|2,1,0]=4 411 B11R1.25 CC(CF)OCc1ccsc1 7a_100016041109_100011261437 [0,1,0,0,0,0|2,1,0]=4 412 B11R1.25 CC(CF)OCc1cncs1 34a_100016041109_100015185245 [0,1,0,0,0,0|1,2,0]=4 413 B11R1.25 CC(CF)OCc1cncs1 7a_100016041109_100015185245 [0,1,0,0,0,0|1,2,0]=4 414 B11R1.25 CC(CF)OCc1cscn1 34a_100016041109_100000205941 [0,1,0,0,0,0|2,1,0]=4 415 B11R1.25 CC(CF)OCc1cscn1 7a_100016041109_100000205941 [0,1,0,0,0,0|2,1,0]=4 416 B11R1.25 CC(CF)OCc1ncc[nH]1 34a_100016041109_100016991755 [0,1,0,0,0,0|2,1,0]=4 417 B11R1.25 CC(CF)OCc1ncc[nH]1 7a_100016041109_100000753453 [0,1,0,0,0,0|2,1,0]=4 418 B11R1.25 CC(CF)OCc1ncco1 34a_100016041109_103436540062 [0,1,0,0,0,0|1,1,0]=3 419 B11R1.25 CC(CF)OCc1ncco1 7a_100016041109_103436540062 [0,1,0,0,0,0|1,1,0]=3 420 B11R1.25 CC(CF)OCc1nccs1 34a_100016041109_100015184050 [0,1,0,0,0,0|1,2,0]=4 421 B11R1.25 CC(CF)OCc1nccs1 7a_100016041109_100015184050 [0,1,0,0,0,0|1,2,0]=4 422 B11R1.25 CC(CN)OCc1c[nH]cn1 34a_100000210904_100000707719 [0,1,0,0,0,0|2,1,0]=4 423 B11R1.25 CC(CN)OCc1ccn[nH]1 34a_100000210904_100000728653 [0,1,0,0,0,0|2,1,0]=4 424 B11R1.25 CC(CN)OCc1ccon1 34a_100000210904_100000234950 [0,1,0,0,0,0|2,1,0]=4 425 B11R1.25 CC(CN)OCc1ccsc1 34a_100000210904_100011261437 [0,1,0,0,0,0|2,1,0]=4 426 B11R1.25 CC(CN)OCc1cncs1 34a_100000210904_100015185245 [0,1,0,0,0,0|1,2,0]=4 427 B11R1.25 CC(CN)OCc1cscn1 34a_100000210904_100000205941 [0,1,0,0,0,0|2,1,0]=4 428 B11R1.25 CC(CN)OCc1ncc[nH]1 34a_100000210904_100016991755 [0,1,0,0,0,0|2,1,0]=4 429 B11R1.25 CC(CN)OCc1ncco1 34a_100000210904_103436540062 [0,1,0,0,0,0|1,1,0]=3 430 B11R1.25 CC(CN)OCc1nccs1 34a_100000210904_100015184050 [0,1,0,0,0,0|1,2,0]=4 431 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,1,0,0,0,0|1,1,0]=3 434 B11R1.25 CC(CO)NCc1ccoc1 2230a_100015206860_100012180447 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.25 CC(CO)NCc1ccoc1 34a_100015206860_100012180447 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.25 CC(CO)NCc1ccsc1 2230a_100000186416_100012180447 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.25 CC(CO)NCc1ccsc1 34a_100000186416_100012180447 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.25 CC(CO)NCc1cncs1 2230a_100016987365_100012180447 [0,1,0,0,0,0|2,1,0]=4 439 B11R1.25 CC(CO)NCc1cscn1 2230a_100015185402_100012180447 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.25 CC(CO)NCc1ncco1 2230a_100016994969_100012180447 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.25 CC(CO)NCc1nccs1 2230a_100000740555_100012180447 [0,1,0,0,0,0|2,1,0]=4 442 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,1,0,0,0,0|0,1,0]=2 443 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,1,0,0,0,0|0,2,0]=3 444 B11R1.25 CC(CO)OCc1ccno1 34a_100000740478_100012180447 [0,1,0,0,0,0|1,1,0]=3 445 B11R1.25 CC(CO)OCc1ccoc1 34a_100011215357_100012180447 [0,1,0,0,0,0|2,1,0]=4 446 B11R1.25 CC(CO)OCc1ccsc1 34a_100011215551_100012180447 [0,1,0,0,0,0|2,1,0]=4 447 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,1,0,0,0,0|1,1,0]=3 448 B11R1.25 CC(CO)OCn1cccn1 34a_100000731028_100012180447 [0,1,0,0,0,0|2,1,0]=4 449 B11R1.25 CC(CO)SCc1c[nH]cn1 62a_100012180447_100000707719 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.25 CC(CO)SCc1ccn[nH]1 62a_100012180447_100000728653 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.25 CC(CO)SCc1ccon1 62a_100012180447_100000234950 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.25 CC(CO)SCc1ccsc1 62a_100012180447_100011233845 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.25 CC(CO)SCc1cncs1 62a_100012180447_100015185245 [0,1,0,0,0,0|1,1,0]=3 454 B11R1.25 CC(CO)SCc1cscn1 62a_100012180447_100000205941 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.25 CC(CO)SCc1ncc[nH]1 62a_100012180447_100016991755 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.25 CC(CO)SCc1ncco1 62a_100012180447_103436540062 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.25 CC(CO)SCc1nccs1 62a_100012180447_100015184050 [0,1,0,0,0,0|1,1,0]=3 458 B11R1.25 CC(CO)SCc1ncon1 62a_100012180447_100000233494 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.25 CC(CO)SCn1cncn1 62a_100012180447_200020645497 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [0,1,0,0,0,0|2,1,0]=4 468 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [0,1,0,0,0,0|2,1,0]=4 469 B11R1.25 CCC(C)CSc1cnco1 62a_100000748023_100020591547 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.25 CCC(C)CSc1cnco1 62a_100020591547_100000748023 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.25 CCC(C)NCc1c[nH]cn1 2230a_100000209981_100000707719 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.25 CCC(C)NCc1cc[nH]n1 207a_100000209981_100000738523 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.25 CCC(C)NCc1cc[nH]n1 270004a_100000209981_100000738523 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.25 CCC(C)NCc1cccs1 207a_100000209981_100000209959 [0,1,0,0,0,0|1,1,0]=3 481 B11R1.25 CCC(C)NCc1cccs1 2230a_100000211653_100000758301 [0,1,0,0,0,0|1,1,0]=3 482 B11R1.25 CCC(C)NCc1cccs1 270004a_100000209981_100000209959 [0,1,0,0,0,0|1,1,0]=3 483 B11R1.25 CCC(C)NCc1ccn[nH]1 2230a_100000209981_100000728653 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.25 CCC(C)NCc1ccoc1 207a_100000209981_100011215517 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.25 CCC(C)NCc1ccoc1 2230a_100015206860_100000758301 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.25 CCC(C)NCc1ccoc1 270004a_100000209981_100011215517 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.25 CCC(C)NCc1ccoc1 34a_100015206860_100011215416 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.25 CCC(C)NCc1ccon1 2230a_100000209981_100000234950 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.25 CCC(C)NCc1ccsc1 207a_100000209981_100000188534 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000186416_100000758301 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000209981_100011261437 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.25 CCC(C)NCc1ccsc1 270004a_100000209981_100000188534 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.25 CCC(C)NCc1ccsc1 34a_100000186416_100011215416 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.25 CCC(C)NCc1cnc[nH]1 207a_100000209981_100000742939 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.25 CCC(C)NCc1cnco1 270004a_100000209981_100000064291 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.25 CCC(C)NCc1cncs1 207a_100000209981_100000749870 [0,1,0,0,0,0|2,1,0]=4 497 B11R1.25 CCC(C)NCc1cncs1 2230a_100000209981_100015185245 [0,1,0,0,0,0|2,1,0]=4 498 B11R1.25 CCC(C)NCc1cncs1 2230a_100016987365_100000758301 [0,1,0,0,0,0|2,1,0]=4 499 B11R1.25 CCC(C)NCc1cncs1 270004a_100000209981_100000749870 [0,1,0,0,0,0|2,1,0]=4 500 B11R1.25 CCC(C)NCc1cocn1 270004a_100000209981_100000050382 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.25 CCC(C)NCc1cscn1 207a_100000209981_100000743575 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.25 CCC(C)NCc1cscn1 2230a_100000209981_100000205941 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.25 CCC(C)NCc1cscn1 2230a_100015185402_100000758301 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.25 CCC(C)NCc1cscn1 270004a_100000209981_100000743575 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.25 CCC(C)NCc1ncc[nH]1 207a_100000209981_100000743867 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.25 CCC(C)NCc1ncc[nH]1 2230a_100000209981_100016991755 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.25 CCC(C)NCc1ncco1 2230a_100000209981_103436540062 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.25 CCC(C)NCc1ncco1 2230a_100016994969_100000758301 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.25 CCC(C)NCc1ncco1 270004a_100000209981_100000064290 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.25 CCC(C)NCc1nccs1 207a_100000209981_100000750902 [0,1,0,0,0,0|2,1,0]=4 511 B11R1.25 CCC(C)NCc1nccs1 2230a_100000209981_100015184050 [0,1,0,0,0,0|2,1,0]=4 512 B11R1.25 CCC(C)NCc1nccs1 2230a_100000740555_100000758301 [0,1,0,0,0,0|2,1,0]=4 513 B11R1.25 CCC(C)NCc1nccs1 270004a_100000209981_100000750902 [0,1,0,0,0,0|2,1,0]=4 514 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,1,0,0,0,0|0,1,0]=2 515 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,1,0,0,0,0|0,2,0]=3 516 B11R1.25 CCC(C)OCc1ccn[nH]1 7a_100000210228_100000728653 [0,1,0,0,0,0|2,1,0]=4 517 B11R1.25 CCC(C)OCc1ccno1 34a_100000740478_100011215416 [0,1,0,0,0,0|1,1,0]=3 518 B11R1.25 CCC(C)OCc1ccoc1 34a_100011215357_100011215416 [0,1,0,0,0,0|2,1,0]=4 519 B11R1.25 CCC(C)OCc1ccon1 7a_100000210228_100000234950 [0,1,0,0,0,0|2,1,0]=4 520 B11R1.25 CCC(C)OCc1ccsc1 34a_100011215551_100011215416 [0,1,0,0,0,0|2,1,0]=4 521 B11R1.25 CCC(C)OCc1ccsc1 7a_100000210228_100011261437 [0,1,0,0,0,0|2,1,0]=4 522 B11R1.25 CCC(C)OCc1cncs1 7a_100000210228_100015185245 [0,1,0,0,0,0|1,2,0]=4 523 B11R1.25 CCC(C)OCc1cscn1 7a_100000210228_100000205941 [0,1,0,0,0,0|2,1,0]=4 524 B11R1.25 CCC(C)OCc1ncc[nH]1 7a_100000210228_100000753453 [0,1,0,0,0,0|2,1,0]=4 525 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,1,0,0,0,0|1,1,0]=3 526 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,1,0,0,0,0|1,1,0]=3 527 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,1,0,0,0,0|1,2,0]=4 528 B11R1.25 CCC(C)OCn1cccn1 34a_100000731028_100011215416 [0,1,0,0,0,0|2,1,0]=4 529 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000707719_100000758301 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000758301_100000707719 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.25 CCC(C)SCc1ccn[nH]1 62a_100000728653_100000758301 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.25 CCC(C)SCc1ccn[nH]1 62a_100000758301_100000728653 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.25 CCC(C)SCc1ccon1 62a_100000234950_100000758301 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.25 CCC(C)SCc1ccon1 62a_100000758301_100000234950 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.25 CCC(C)SCc1ccsc1 62a_100000758301_100011233845 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.25 CCC(C)SCc1ccsc1 62a_100011261437_100000758301 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.25 CCC(C)SCc1cncs1 62a_100000758301_100015185245 [0,1,0,0,0,0|1,1,0]=3 538 B11R1.25 CCC(C)SCc1cncs1 62a_100015185245_100000758301 [0,1,0,0,0,0|1,1,0]=3 539 B11R1.25 CCC(C)SCc1cscn1 62a_100000205941_100000758301 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.25 CCC(C)SCc1cscn1 62a_100000758301_100000205941 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100000758301_100016991755 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100016991755_100000758301 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [0,1,0,0,0,0|1,0,0]=2 544 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [0,1,0,0,0,0|1,0,0]=2 545 B11R1.25 CCC(C)SCc1nccs1 62a_100000758301_100015184050 [0,1,0,0,0,0|1,1,0]=3 546 B11R1.25 CCC(C)SCc1nccs1 62a_100015184050_100000758301 [0,1,0,0,0,0|1,1,0]=3 547 B11R1.25 CCC(C)SCc1ncon1 62a_100000233494_100000758301 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.25 CCC(C)SCc1ncon1 62a_100000758301_100000233494 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.25 CCC(C)SCn1cncn1 62a_100000758301_200020645497 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.25 CCC(C)SCn1cncn1 62a_200020645497_100000758301 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,1,0,0,0,0|2,1,0]=4 554 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,1,0,0,0,0|2,1,0]=4 555 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [0,1,0,0,0,0|2,1,0]=4 558 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [0,1,0,0,0,0|2,1,0]=4 559 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100009816398_100020591547 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100020591547_100009816398 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,0,0|1,0,0]=2 572 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.25 CNC(C)CCn1cccn1 270004a_106832991635_100000697638 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.25 COC(C)SCc1c[nH]cn1 62a_100000707719_100009879195 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.25 COC(C)SCc1c[nH]cn1 62a_100009879195_100000707719 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.25 COC(C)SCc1ccn[nH]1 62a_100000728653_100009879195 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.25 COC(C)SCc1ccn[nH]1 62a_100009879195_100000728653 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.25 COC(C)SCc1ccon1 62a_100000234950_100009879195 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.25 COC(C)SCc1ccon1 62a_100009879195_100000234950 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.25 COC(C)SCc1ccsc1 62a_100009879195_100011233845 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.25 COC(C)SCc1ccsc1 62a_100011261437_100009879195 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.25 COC(C)SCc1cncs1 62a_100009879195_100015185245 [0,1,0,0,0,0|1,1,0]=3 583 B11R1.25 COC(C)SCc1cncs1 62a_100015185245_100009879195 [0,1,0,0,0,0|1,1,0]=3 584 B11R1.25 COC(C)SCc1cscn1 62a_100000205941_100009879195 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.25 COC(C)SCc1cscn1 62a_100009879195_100000205941 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.25 COC(C)SCc1ncc[nH]1 62a_100009879195_100016991755 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.25 COC(C)SCc1ncc[nH]1 62a_100016991755_100009879195 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.25 COC(C)SCc1ncco1 62a_100009879195_103436540062 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.25 COC(C)SCc1ncco1 62a_103436540062_100009879195 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.25 COC(C)SCc1nccs1 62a_100009879195_100015184050 [0,1,0,0,0,0|1,1,0]=3 591 B11R1.25 COC(C)SCc1nccs1 62a_100015184050_100009879195 [0,1,0,0,0,0|1,1,0]=3 592 B11R1.25 COC(C)SCc1ncon1 62a_100000233494_100009879195 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.25 COC(C)SCc1ncon1 62a_100009879195_100000233494 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.25 COC(C)SCn1cncn1 62a_100009879195_200020645497 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.25 COC(C)SCn1cncn1 62a_200020645497_100009879195 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100000059175_100011215356 [0,1,0,0,0,0|2,1,0]=4 599 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100011215356_100000059175 [0,1,0,0,0,0|2,1,0]=4 600 B11R1.25 C[C@@H](CO)CSc1cnco1 62a_100000059175_100020591547 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.25 C[C@@H](CO)CSc1cnco1 62a_100020591547_100000059175 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100000059175_100011787736 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100011787736_100000059175 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.25 C[C@H](CF)NCc1cc[nH]n1 207a_100102880703_100000738523 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.25 C[C@H](CF)NCc1cc[nH]n1 270004a_100102880703_100000738523 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,1,0,0,0,0|1,0,0]=2 608 B11R1.25 C[C@H](CF)NCc1cccs1 207a_100102880703_100000209959 [0,1,0,0,0,0|1,1,0]=3 609 B11R1.25 C[C@H](CF)NCc1cccs1 270004a_100102880703_100000209959 [0,1,0,0,0,0|1,1,0]=3 610 B11R1.25 C[C@H](CF)NCc1ccoc1 207a_100102880703_100011215517 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.25 C[C@H](CF)NCc1ccoc1 270004a_100102880703_100011215517 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.25 C[C@H](CF)NCc1ccsc1 207a_100102880703_100000188534 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.25 C[C@H](CF)NCc1ccsc1 270004a_100102880703_100000188534 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.25 C[C@H](CF)NCc1cnc[nH]1 207a_100102880703_100000742939 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.25 C[C@H](CF)NCc1cnco1 270004a_100102880703_100000064291 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.25 C[C@H](CF)NCc1cncs1 207a_100102880703_100000749870 [0,1,0,0,0,0|2,1,0]=4 617 B11R1.25 C[C@H](CF)NCc1cncs1 270004a_100102880703_100000749870 [0,1,0,0,0,0|2,1,0]=4 618 B11R1.25 C[C@H](CF)NCc1cocn1 270004a_100102880703_100000050382 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.25 C[C@H](CF)NCc1cscn1 207a_100102880703_100000743575 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.25 C[C@H](CF)NCc1cscn1 270004a_100102880703_100000743575 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.25 C[C@H](CF)NCc1ncc[nH]1 207a_100102880703_100000743867 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.25 C[C@H](CF)NCc1ncco1 270004a_100102880703_100000064290 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.25 C[C@H](CF)NCc1nccs1 207a_100102880703_100000750902 [0,1,0,0,0,0|2,1,0]=4 624 B11R1.25 C[C@H](CF)NCc1nccs1 270004a_100102880703_100000750902 [0,1,0,0,0,0|2,1,0]=4 625 B11R1.25 C[C@H](CO)NCc1c[nH]cn1 2230a_100000737577_100000707719 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.25 C[C@H](CO)NCc1cc[nH]n1 207a_100000737577_100000738523 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.25 C[C@H](CO)NCc1cc[nH]n1 270004a_100000737577_100000738523 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,1,0,0,0,0|1,0,0]=2 629 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,1,0,0,0,0|1,1,0]=3 631 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,1,0,0,0,0|1,1,0]=3 632 B11R1.25 C[C@H](CO)NCc1ccn[nH]1 2230a_100000737577_100000728653 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.25 C[C@H](CO)NCc1ccoc1 207a_100000737577_100011215517 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.25 C[C@H](CO)NCc1ccoc1 270004a_100000737577_100011215517 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.25 C[C@H](CO)NCc1ccon1 2230a_100000737577_100000234950 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.25 C[C@H](CO)NCc1ccsc1 207a_100000737577_100000188534 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.25 C[C@H](CO)NCc1ccsc1 2230a_100000737577_100011261437 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.25 C[C@H](CO)NCc1ccsc1 270004a_100000737577_100000188534 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.25 C[C@H](CO)NCc1cnc[nH]1 207a_100000737577_100000742939 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.25 C[C@H](CO)NCc1cnco1 270004a_100000737577_100000064291 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.25 C[C@H](CO)NCc1cncs1 207a_100000737577_100000749870 [0,1,0,0,0,0|2,1,0]=4 642 B11R1.25 C[C@H](CO)NCc1cncs1 2230a_100000737577_100015185245 [0,1,0,0,0,0|2,1,0]=4 643 B11R1.25 C[C@H](CO)NCc1cncs1 270004a_100000737577_100000749870 [0,1,0,0,0,0|2,1,0]=4 644 B11R1.25 C[C@H](CO)NCc1cocn1 270004a_100000737577_100000050382 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.25 C[C@H](CO)NCc1cscn1 207a_100000737577_100000743575 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.25 C[C@H](CO)NCc1cscn1 2230a_100000737577_100000205941 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.25 C[C@H](CO)NCc1cscn1 270004a_100000737577_100000743575 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.25 C[C@H](CO)NCc1ncc[nH]1 207a_100000737577_100000743867 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.25 C[C@H](CO)NCc1ncc[nH]1 2230a_100000737577_100016991755 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.25 C[C@H](CO)NCc1ncco1 2230a_100000737577_103436540062 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.25 C[C@H](CO)NCc1ncco1 270004a_100000737577_100000064290 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.25 C[C@H](CO)NCc1nccs1 207a_100000737577_100000750902 [0,1,0,0,0,0|2,1,0]=4 653 B11R1.25 C[C@H](CO)NCc1nccs1 2230a_100000737577_100015184050 [0,1,0,0,0,0|2,1,0]=4 654 B11R1.25 C[C@H](CO)NCc1nccs1 270004a_100000737577_100000750902 [0,1,0,0,0,0|2,1,0]=4 655 B11R1.25 C[C@H](CO)SCc1c[nH]cn1 62a_100000707719_100016084084 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.25 C[C@H](CO)SCc1c[nH]cn1 62a_100016084084_100000707719 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.25 C[C@H](CO)SCc1ccn[nH]1 62a_100000728653_100016084084 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.25 C[C@H](CO)SCc1ccn[nH]1 62a_100016084084_100000728653 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.25 C[C@H](CO)SCc1ccon1 62a_100000234950_100016084084 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.25 C[C@H](CO)SCc1ccon1 62a_100016084084_100000234950 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.25 C[C@H](CO)SCc1ccsc1 62a_100011261437_100016084084 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.25 C[C@H](CO)SCc1ccsc1 62a_100016084084_100011233845 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.25 C[C@H](CO)SCc1cncs1 62a_100015185245_100016084084 [0,1,0,0,0,0|1,1,0]=3 664 B11R1.25 C[C@H](CO)SCc1cncs1 62a_100016084084_100015185245 [0,1,0,0,0,0|1,1,0]=3 665 B11R1.25 C[C@H](CO)SCc1cscn1 62a_100000205941_100016084084 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.25 C[C@H](CO)SCc1cscn1 62a_100016084084_100000205941 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.25 C[C@H](CO)SCc1ncc[nH]1 62a_100016084084_100016991755 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.25 C[C@H](CO)SCc1ncc[nH]1 62a_100016991755_100016084084 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.25 C[C@H](CO)SCc1ncco1 62a_100016084084_103436540062 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.25 C[C@H](CO)SCc1ncco1 62a_103436540062_100016084084 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.25 C[C@H](CO)SCc1nccs1 62a_100015184050_100016084084 [0,1,0,0,0,0|1,1,0]=3 672 B11R1.25 C[C@H](CO)SCc1nccs1 62a_100016084084_100015184050 [0,1,0,0,0,0|1,1,0]=3 673 B11R1.25 C[C@H](CO)SCc1ncon1 62a_100000233494_100016084084 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.25 C[C@H](CO)SCc1ncon1 62a_100016084084_100000233494 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.25 C[C@H](CO)SCn1cncn1 62a_100016084084_200020645497 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.25 C[C@H](CO)SCn1cncn1 62a_200020645497_100016084084 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.25 N#CC(F)SCc1ncco1 62a_103436540062_200000117898 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.25 N#CC(F)SCc1ncco1 62a_200000117898_103436540062 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.35 CC(C)C(=O)Cc1c[nH]cn1 1458a_100000210198_100000707719 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.35 CC(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000210206 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,0|1,0,0]=2 695 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,1,0,0,0,0|1,1,0]=3 696 B11R1.35 CC(C)C(=O)Cc1ccn[nH]1 1458a_100000210198_100000728653 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.35 CC(C)C(=O)Cc1ccn[nH]1 1458a_100000752941_100000210206 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.35 CC(C)C(=O)Cc1ccoc1 1458a_100000684892_100000210206 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.35 CC(C)C(=O)Cc1ccon1 1458a_100000210198_100000234950 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.35 CC(C)C(=O)Cc1ccsc1 1458a_100000184062_100000210206 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.35 CC(C)C(=O)Cc1ccsc1 1458a_100000210198_100011233845 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.35 CC(C)C(=O)Cc1cncs1 1458a_100000210198_100015185245 [0,1,0,0,0,0|2,1,0]=4 703 B11R1.35 CC(C)C(=O)Cc1cscn1 1458a_100000210198_100000205941 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.35 CC(C)C(=O)Cc1cscn1 1458a_100011438297_100000210206 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.35 CC(C)C(=O)Cc1nccs1 1458a_100000210198_100015184050 [0,1,0,0,0,0|2,1,0]=4 707 B11R1.35 CC(C)C(=O)Cn1cccc1 1458a_100011196272_100000210206 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.35 CC(C)C(=O)Cn1cccn1 1458a_100000233772_100000210206 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.35 CC(C)N(C)Cc1c[nH]cn1 269982a_200000211004_100000707719 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.35 CC(C)N(C)Cc1cc[nH]n1 270004a_200000211004_100000738523 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [0,1,0,0,0,0|1,0,0]=2 713 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [0,1,0,0,0,0|1,0,0]=2 714 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000184426_100000210206 [0,1,0,0,0,0|1,1,0]=3 715 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000200192_200000210301 [0,1,0,0,0,0|1,1,0]=3 716 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000184426_100000210206 [0,1,0,0,0,0|1,1,0]=3 717 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000200192_200000210301 [0,1,0,0,0,0|1,1,0]=3 718 B11R1.35 CC(C)N(C)Cc1cccs1 270004a_200000211004_100000209959 [0,1,0,0,0,0|1,1,0]=3 719 B11R1.35 CC(C)N(C)Cc1ccn[nH]1 269982a_200000211004_100000728653 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.35 CC(C)N(C)Cc1ccoc1 270004a_200000211004_100011215517 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.35 CC(C)N(C)Cc1ccon1 2230a_100000757864_100000210206 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.35 CC(C)N(C)Cc1ccon1 269982a_100000757864_100000210206 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.35 CC(C)N(C)Cc1ccon1 269982a_200000211004_100000234950 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.35 CC(C)N(C)Cc1ccsc1 2230a_100020654213_100000210206 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.35 CC(C)N(C)Cc1ccsc1 269982a_100020654213_100000210206 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.35 CC(C)N(C)Cc1ccsc1 269982a_200000211004_100011233845 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.35 CC(C)N(C)Cc1ccsc1 270004a_200000211004_100000188534 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.35 CC(C)N(C)Cc1cnco1 270004a_200000211004_100000064291 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.35 CC(C)N(C)Cc1cncs1 269982a_200000211004_100015185245 [0,1,0,0,0,0|2,1,0]=4 730 B11R1.35 CC(C)N(C)Cc1cncs1 270004a_200000211004_100000749870 [0,1,0,0,0,0|2,1,0]=4 731 B11R1.35 CC(C)N(C)Cc1cocn1 270004a_200000211004_100000050382 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.35 CC(C)N(C)Cc1cscn1 2230a_100000225794_100000210206 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.35 CC(C)N(C)Cc1cscn1 269982a_100000225794_100000210206 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.35 CC(C)N(C)Cc1cscn1 269982a_200000211004_100000205941 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.35 CC(C)N(C)Cc1cscn1 270004a_200000211004_100000743575 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 2230a_100000715157_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 2230a_100015184136_100000210206 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 269982a_100000715157_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 269982a_100015184136_100000210206 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 269982a_200000211004_100016991755 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.35 CC(C)N(C)Cc1ncco1 269982a_200000211004_103436540062 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.35 CC(C)N(C)Cc1ncco1 270004a_200000211004_100000064290 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.35 CC(C)N(C)Cc1nccs1 2230a_100000765864_100000210206 [0,1,0,0,0,0|2,1,0]=4 744 B11R1.35 CC(C)N(C)Cc1nccs1 269982a_100000765864_100000210206 [0,1,0,0,0,0|2,1,0]=4 745 B11R1.35 CC(C)N(C)Cc1nccs1 269982a_200000211004_100015184050 [0,1,0,0,0,0|2,1,0]=4 746 B11R1.35 CC(C)N(C)Cc1nccs1 270004a_200000211004_100000750902 [0,1,0,0,0,0|2,1,0]=4 747 B11R1.35 CC(C)N([13CH3])Cc1cccs1 2230a_100000200192_200025704644 [0,1,0,0,0,0|1,1,0]=3 748 B11R1.35 CC(C)N([13CH3])Cc1cccs1 269982a_100000200192_200025704644 [0,1,0,0,0,0|1,1,0]=3 749 B11R1.35 CC(C)N([13CH3])Cc1ncc[nH]1 2230a_100000715157_200025704644 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.35 CC(C)N([13CH3])Cc1ncc[nH]1 269982a_100000715157_200025704644 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.35 CC(F)C(=O)Cc1ncco1 1458a_100000062450_103436540062 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 11a_100102631434_100000238377 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 240690a_100102631434_100000238377 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.35 CN(C)C(=O)Cc1ccc[nH]1 527a_100102631434_100000238377 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.35 CN(C)C(=O)Cc1cccs1 11a_100102631434_100000210189 [0,1,0,0,0,0|2,1,0]=4 759 B11R1.35 CN(C)C(=O)Cc1cccs1 1626a_100102631434_100000210189 [0,1,0,0,0,0|2,1,0]=4 760 B11R1.35 CN(C)C(=O)Cc1cccs1 240690a_100102631434_100000210189 [0,1,0,0,0,0|2,1,0]=4 761 B11R1.35 C[C@@H](O)C(=O)Cc1ncco1 1458a_100000717761_103436540062 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.35 C[C@H](O)C(=O)Cc1ncco1 1458a_217856618621_103436540062 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,0,0|2,0,1]=4 767 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,0,0|2,0,1]=4 768 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,0,0|2,0,1]=4 770 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.75 CC(C)C=Cc1ccc(s1)Br 271570a_100016257149_100010197418 [0,1,0,0,0,0|1,1,1]=4 772 B11R1.75 CC(C)CCn1cc(cn1)O 271570a_203496583355_200012073170 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.75 CC(C)CSc1ccc(s1)Br 62a_100000210624_100010197418 [0,1,0,0,0,0|2,1,0]=4 774 B11R1.75 CC(C)CSc1ccc(s1)Br 62a_100010197418_100000210760 [0,1,0,0,0,0|2,1,0]=4 775 B11R1.75 CC(C)NCC1=CC(=O)OC1 34a_100138425928_100000716558 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.75 CC(C)NCc1cc(cs1)Br 207a_100138425928_100000211722 [0,1,0,0,0,0|1,1,0]=3 777 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100000741024_100000210206 [0,1,0,0,0,0|1,1,0]=3 778 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100138425928_100000746031 [0,1,0,0,0,0|1,1,0]=3 779 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100000741024_100000210206 [0,1,0,0,0,0|1,1,0]=3 780 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100138425928_100000746031 [0,1,0,0,0,0|1,1,0]=3 781 B11R1.75 CC(C)NCc1cc(cs1)Cl 207a_100138425928_100000102487 [0,1,0,0,0,0|1,1,0]=3 782 B11R1.75 CC(C)NCc1cc(cs1)I 207a_100138425928_100010179861 [0,1,0,0,0,0|1,1,0]=3 783 B11R1.75 CC(C)NCc1cc(no1)Br 2230a_100015193020_100000210206 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.75 CC(C)NCc1cc(no1)Br 34a_100015193020_100000210206 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [0,1,0,0,0,0|1,0,0]=2 787 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [0,1,0,0,0,0|1,0,0]=2 788 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [0,1,0,0,0,0|1,0,0]=2 789 B11R1.75 CC(C)NCc1ccc(s1)Br 207a_100138425928_100000179771 [0,1,0,0,0,0|1,1,0]=3 790 B11R1.75 CC(C)NCc1ccc(s1)Br 2230a_100138425928_100000708592 [0,1,0,0,0,0|1,1,0]=3 791 B11R1.75 CC(C)NCc1ccc(s1)Br 34a_100138425928_100000708592 [0,1,0,0,0,0|1,1,0]=3 792 B11R1.75 CC(C)NCc1ccc(s1)Cl 207a_100138425928_100000242774 [0,1,0,0,0,0|1,1,0]=3 793 B11R1.75 CC(C)NCc1ccc(s1)Cl 2230a_100000737310_100000210206 [0,1,0,0,0,0|1,1,0]=3 794 B11R1.75 CC(C)NCc1ccc(s1)Cl 2230a_100138425928_100000185097 [0,1,0,0,0,0|1,1,0]=3 795 B11R1.75 CC(C)NCc1ccc(s1)Cl 34a_100138425928_100000185097 [0,1,0,0,0,0|1,1,0]=3 796 B11R1.75 CC(C)NCc1ccn(n1)C 207a_100138425928_100000750880 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.75 CC(C)NCc1ccn(n1)C 2230a_100020636201_100000210206 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.75 CC(C)NCc1ccn(n1)C 2230a_100138425928_100000726502 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.75 CC(C)NCc1ccn(n1)C 34a_100020636201_100000210206 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.75 CC(C)NCc1ccn(n1)C 34a_100138425928_100000726502 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.75 CC(C)NCc1cn(cn1)C 207a_100138425928_100000684808 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.75 CC(C)NCc1cn(cn1)C 2230a_100138425928_100000717665 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.75 CC(C)NCc1cn(cn1)C 34a_100138425928_100000717665 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.75 CC(C)NCc1cnc(s1)Br 2230a_100000726991_100000210206 [0,1,0,0,0,0|2,1,0]=4 805 B11R1.75 CC(C)NCc1cnc(s1)Br 2230a_100138425928_100000717027 [0,1,0,0,0,0|2,1,0]=4 806 B11R1.75 CC(C)NCc1cnc(s1)Br 34a_100138425928_100000717027 [0,1,0,0,0,0|2,1,0]=4 807 B11R1.75 CC(C)NCc1cnc(s1)Cl 2230a_100000726635_100000210206 [0,1,0,0,0,0|2,1,0]=4 808 B11R1.75 CC(C)NCc1cnc(s1)Cl 2230a_100138425928_100000058068 [0,1,0,0,0,0|2,1,0]=4 809 B11R1.75 CC(C)NCc1cnc(s1)Cl 34a_100138425928_100000058068 [0,1,0,0,0,0|2,1,0]=4 810 B11R1.75 CC(C)NCc1csc(c1)Br 207a_100138425928_100000737087 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.75 CC(C)NCc1csc(c1)Cl 207a_100138425928_100009844934 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.75 CC(C)NCc1csc(n1)Cl 2230a_100138425928_100000024076 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.75 CC(C)NCc1csc(n1)Cl 34a_100138425928_100000024076 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.75 CC(C)OCC1=CC(=O)OC1 34a_100000212225_100000716558 [0,1,0,0,0,0|2,1,0]=4 815 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000212225_100000746031 [0,1,0,0,0,0|0,2,0]=3 816 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000238369_100000210206 [0,1,0,0,0,0|0,2,0]=3 817 B11R1.75 CC(C)OCc1cc(cs1)Br 7a_100000238369_100000210206 [0,1,0,0,0,0|0,2,0]=3 818 B11R1.75 CC(C)OCc1cc(no1)Br 34a_100009816691_100000210206 [0,1,0,0,0,0|1,1,0]=3 819 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [0,1,0,0,0,0|0,1,0]=2 820 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [0,1,0,0,0,0|0,1,0]=2 821 B11R1.75 CC(C)OCc1ccc(s1)Br 34a_100000212225_100000708592 [0,1,0,0,0,0|0,2,0]=3 822 B11R1.75 CC(C)OCc1ccc(s1)Cl 34a_100000212225_100000185097 [0,1,0,0,0,0|0,2,0]=3 823 B11R1.75 CC(C)OCc1ccn(n1)C 34a_100000212225_100000726502 [0,1,0,0,0,0|2,1,0]=4 824 B11R1.75 CC(C)OCc1ccn(n1)C 34a_100000744484_100000210206 [0,1,0,0,0,0|2,1,0]=4 825 B11R1.75 CC(C)OCc1cn(cn1)C 34a_100000212225_100000717665 [0,1,0,0,0,0|2,1,0]=4 826 B11R1.75 CC(C)OCc1cn(cn1)C 34a_100000710007_100000210206 [0,1,0,0,0,0|2,1,0]=4 827 B11R1.75 CC(C)OCc1cnc(s1)Br 34a_100000212225_100000717027 [0,1,0,0,0,0|1,2,0]=4 828 B11R1.75 CC(C)OCc1cnc(s1)Br 7a_100009816753_100000210206 [0,1,0,0,0,0|1,2,0]=4 829 B11R1.75 CC(C)OCc1cnc(s1)Cl 34a_100000212225_100000058068 [0,1,0,0,0,0|1,2,0]=4 830 B11R1.75 CC(C)OCc1cnc(s1)Cl 7a_100000697714_100000210206 [0,1,0,0,0,0|1,2,0]=4 831 B11R1.75 CC(C)OCc1cnc(s1)N 7a_100011997359_100000210206 [0,1,0,0,0,0|1,2,0]=4 832 B11R1.75 CC(C)OCc1csc(c1)Cl 34a_100009863405_100000210206 [0,1,0,0,0,0|2,1,0]=4 833 B11R1.75 CC(C)OCc1csc(c1)Cl 7a_100009863405_100000210206 [0,1,0,0,0,0|2,1,0]=4 834 B11R1.75 CC(C)OCc1csc(n1)Cl 34a_100000212225_100000024076 [0,1,0,0,0,0|2,1,0]=4 835 B11R1.75 CC(C)OCc1nc(cs1)Br 7a_100012000107_100000210206 [0,1,0,0,0,0|1,2,0]=4 836 B11R1.75 CC(C)OCn1cc(cn1)Cl 34a_100000732729_100000210206 [0,1,0,0,0,0|2,1,0]=4 837 B11R1.75 CC(C)SCC1=CC(=O)OC1 62a_100000210206_100000716558 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.75 CC(C)SCC1=CC(=O)OC1 62a_100000716558_100000210206 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000181169_100000210206 [0,1,0,0,0,0|1,0,2]=4 840 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000210206_100000181169 [0,1,0,0,0,0|1,0,2]=4 841 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000073702_100000210206 [0,1,0,0,0,0|1,0,2]=4 842 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000210206_100000073702 [0,1,0,0,0,0|1,0,2]=4 843 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000210206_100000746031 [0,1,0,0,0,0|0,1,0]=2 844 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000746031_100000210206 [0,1,0,0,0,0|0,1,0]=2 845 B11R1.75 CC(C)SCc1cc(no1)Br 62a_100000210206_100000709089 [0,1,0,0,0,0|1,0,0]=2 846 B11R1.75 CC(C)SCc1cc(no1)Br 62a_100000709089_100000210206 [0,1,0,0,0,0|1,0,0]=2 847 B11R1.75 CC(C)SCc1ccc(s1)Br 62a_100000210206_100000708592 [0,1,0,0,0,0|0,1,0]=2 848 B11R1.75 CC(C)SCc1ccc(s1)Br 62a_100000708592_100000210206 [0,1,0,0,0,0|0,1,0]=2 849 B11R1.75 CC(C)SCc1ccc(s1)Cl 62a_100000185097_100000210206 [0,1,0,0,0,0|0,1,0]=2 850 B11R1.75 CC(C)SCc1ccc(s1)Cl 62a_100000210206_100000185097 [0,1,0,0,0,0|0,1,0]=2 851 B11R1.75 CC(C)SCc1ccn(n1)C 62a_100000210206_100000726502 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.75 CC(C)SCc1ccn(n1)C 62a_100000726502_100000210206 [0,1,0,0,0,0|2,0,0]=3 853 B11R1.75 CC(C)SCc1cn(cn1)C 62a_100000210206_100000717665 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.75 CC(C)SCc1cn(cn1)C 62a_100000717665_100000210206 [0,1,0,0,0,0|2,0,0]=3 855 B11R1.75 CC(C)SCc1cnc(s1)Br 62a_100000210206_100000717027 [0,1,0,0,0,0|1,1,0]=3 856 B11R1.75 CC(C)SCc1cnc(s1)Br 62a_100000717027_100000210206 [0,1,0,0,0,0|1,1,0]=3 857 B11R1.75 CC(C)SCc1cnc(s1)Cl 62a_100000058068_100000210206 [0,1,0,0,0,0|1,1,0]=3 858 B11R1.75 CC(C)SCc1cnc(s1)Cl 62a_100000210206_100000058068 [0,1,0,0,0,0|1,1,0]=3 859 B11R1.75 CC(C)SCc1cnn(c1)C 62a_100000210206_100000744441 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.75 CC(C)SCc1cnn(c1)C 62a_100000744441_100000210206 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.75 CC(C)SCc1csc(n1)Cl 62a_100000024076_100000210206 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.75 CC(C)SCc1csc(n1)Cl 62a_100000210206_100000024076 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.75 CC(C)SCc1n[nH]c(=O)[nH]1 62a_100000210206_100000754189 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.75 CC(C)SCc1ncn(n1)C 62a_100000210206_100016995526 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.75 CC(C)SCc1ncn(n1)C 62a_100016995526_100000210206 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.75 CC(C)SCc1nsc(n1)Cl 62a_100000043760_100000210206 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.75 CC(C)SCc1nsc(n1)Cl 62a_100000210206_100000043760 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.75 Cc1c[nH]c(n1)CNC(C)C 207a_100138425928_100000082322 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.75 Cc1cc([nH]n1)CNC(C)C 207a_100138425928_100000028150 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.75 Cc1cc(cs1)CNC(C)C 207a_100138425928_100011998532 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.75 Cc1cc(no1)CNC(C)C 207a_100138425928_100011217994 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.75 Cc1cc(no1)CNC(C)C 2230a_100000745230_100000210206 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.75 Cc1cc(no1)CNC(C)C 2230a_100138425928_100000199038 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.75 Cc1cc(no1)CNC(C)C 34a_100000745230_100000210206 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.75 Cc1cc(no1)CNC(C)C 34a_100138425928_100000199038 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.75 Cc1cc(no1)COC(C)C 34a_100000212225_100000199038 [0,1,0,0,0,0|2,1,0]=4 877 B11R1.75 Cc1cc(no1)COC(C)C 34a_100011216401_100000210206 [0,1,0,0,0,0|2,1,0]=4 878 B11R1.75 Cc1cc(no1)CSC(C)C 62a_100000199038_100000210206 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.75 Cc1cc(no1)CSC(C)C 62a_100000210206_100000199038 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.75 Cc1cc(ns1)CNC(C)C 207a_100138425928_200000100279 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.75 Cc1cc(on1)CNC(C)C 207a_100138425928_100011794430 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.75 Cc1cc(on1)CNC(C)C 2230a_100000745748_100000210206 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.75 Cc1cc(on1)CNC(C)C 2230a_100138425928_100000707947 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.75 Cc1cc(on1)CNC(C)C 34a_100000745748_100000210206 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.75 Cc1cc(on1)CNC(C)C 34a_100138425928_100000707947 [0,1,0,0,0,0|2,0,0]=3 886 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000212225_100000707947 [0,1,0,0,0,0|1,1,0]=3 887 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000684692_100000210206 [0,1,0,0,0,0|1,1,0]=3 888 B11R1.75 Cc1cc(on1)CSC(C)C 62a_100000210206_100000707947 [0,1,0,0,0,0|1,0,0]=2 889 B11R1.75 Cc1cc(on1)CSC(C)C 62a_100000707947_100000210206 [0,1,0,0,0,0|1,0,0]=2 890 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,1,0,0,0,0|1,0,0]=2 891 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,1,0,0,0,0|1,0,0]=2 892 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,1,0,0,0,0|0,1,0]=2 893 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,1,0,0,0,0|0,1,0]=2 894 B11R1.75 Cc1ccc(s1)C=CC(C)C 271570a_100016257149_100000761539 [0,1,0,0,0,0|1,1,1]=4 895 B11R1.75 Cc1ccc(s1)CNC(C)C 207a_100138425928_100000211121 [0,1,0,0,0,0|1,1,0]=3 896 B11R1.75 Cc1ccc(s1)CNC(C)C 2230a_100000238518_100000210206 [0,1,0,0,0,0|1,1,0]=3 897 B11R1.75 Cc1ccc(s1)COC(C)C 34a_100000238367_100000210206 [0,1,0,0,0,0|0,2,0]=3 898 B11R1.75 Cc1ccc(s1)SCC(C)C 62a_100000031368_100000210760 [0,1,0,0,0,0|2,1,0]=4 899 B11R1.75 Cc1ccc(s1)SCC(C)C 62a_100000210624_100000031368 [0,1,0,0,0,0|2,1,0]=4 900 B11R1.75 Cc1cnc(o1)CNC(C)C 2230a_100138411809_100000210206 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.75 Cc1cnc(o1)CNC(C)C 34a_100138411809_100000210206 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.75 Cc1cnc(s1)CNC(C)C 207a_100138425928_100011361622 [0,1,0,0,0,0|2,1,0]=4 903 B11R1.75 Cc1csc(c1)C=CC(C)C 271570a_100016257149_100009876951 [0,1,0,0,0,0|1,1,1]=4 904 B11R1.75 Cc1csc(c1)CNC(C)C 207a_100138425928_100102525248 [0,1,0,0,0,0|1,1,0]=3 905 B11R1.75 Cc1csc(c1)CNC(C)C 2230a_100015204214_100000210206 [0,1,0,0,0,0|1,1,0]=3 906 B11R1.75 Cc1csc(c1)CNC(C)C 34a_100015204214_100000210206 [0,1,0,0,0,0|1,1,0]=3 907 B11R1.75 Cc1csc(c1)COC(C)C 34a_200000068372_100000210206 [0,1,0,0,0,0|0,2,0]=3 908 B11R1.75 Cc1csc(c1)COC(C)C 7a_200000068372_100000210206 [0,1,0,0,0,0|0,2,0]=3 909 B11R1.75 Cc1csc(c1)SCC(C)C 62a_100000210624_100009876951 [0,1,0,0,0,0|2,1,0]=4 910 B11R1.75 Cc1csc(c1)SCC(C)C 62a_100009876951_100000210760 [0,1,0,0,0,0|2,1,0]=4 911 B11R1.75 Cc1csc(n1)CNC(C)C 207a_100138425928_100000756994 [0,1,0,0,0,0|2,1,0]=4 912 B11R1.75 Cc1csc(n1)CNC(C)C 2230a_100015183719_100000210206 [0,1,0,0,0,0|2,1,0]=4 913 B11R1.75 Cc1nc(c[nH]1)CNC(C)C 207a_100138425928_100011219055 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.75 Cc1nc(co1)CNC(C)C 207a_100138425928_100011361629 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.75 Cc1nc(co1)COC(C)C 34a_100012017233_100000210206 [0,1,0,0,0,0|2,1,0]=4 916 B11R1.75 Cc1nc(cs1)CNC(C)C 207a_100138425928_100000203724 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.75 Cc1nc(cs1)CNC(C)C 2230a_100138425928_100015186478 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.75 Cc1nc(cs1)CNC(C)C 34a_100000707933_100000210206 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.75 Cc1nc(cs1)CNC(C)C 34a_100138425928_100015186478 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.75 Cc1nc(cs1)COC(C)C 34a_100000212225_100015186478 [0,1,0,0,0,0|2,1,0]=4 921 B11R1.75 Cc1nc(cs1)COC(C)C 34a_100000735831_100000210206 [0,1,0,0,0,0|2,1,0]=4 922 B11R1.75 Cc1nc(cs1)CSC(C)C 62a_100000210206_100015186478 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.75 Cc1nc(cs1)CSC(C)C 62a_100015186478_100000210206 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.75 Cc1nc(no1)CSC(C)C 62a_100000210206_100000231061 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.75 Cc1nc(no1)CSC(C)C 62a_100000231061_100000210206 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.75 Cc1ncc(o1)CNC(C)C 207a_100138425928_100000084308 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.75 Cc1ncc(s1)CNC(C)C 207a_100138425928_100000740557 [0,1,0,0,0,0|2,1,0]=4 928 B11R1.75 Cc1ncc(s1)CNC(C)C 2230a_100138425928_100020635045 [0,1,0,0,0,0|2,1,0]=4 929 B11R1.75 Cc1ncc(s1)CNC(C)C 2230a_200000743601_100000210206 [0,1,0,0,0,0|2,1,0]=4 930 B11R1.75 Cc1ncc(s1)CNC(C)C 34a_100138425928_100020635045 [0,1,0,0,0,0|2,1,0]=4 931 B11R1.75 Cc1ncc(s1)COC(C)C 34a_100000212225_100020635045 [0,1,0,0,0,0|1,2,0]=4 932 B11R1.75 Cc1ncc(s1)COC(C)C 7a_100000743366_100000210206 [0,1,0,0,0,0|1,2,0]=4 933 B11R1.75 Cc1ncc(s1)CSC(C)C 62a_100000210206_100020635045 [0,1,0,0,0,0|1,1,0]=3 934 B11R1.75 Cc1ncc(s1)CSC(C)C 62a_100020635045_100000210206 [0,1,0,0,0,0|1,1,0]=3 935 B11R1.75 Cc1nnc(o1)CNC(C)C 2230a_100138425928_100000181450 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.75 Cc1nnc(o1)CNC(C)C 2230a_200000236979_100000210206 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.75 Cc1nnc(o1)CNC(C)C 34a_200000236979_100000210206 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.75 Cc1nnc(o1)COC(C)C 34a_100000749586_100000210206 [0,1,0,0,0,0|2,1,0]=4 939 B11R1.75 Cc1nnc(o1)CSC(C)C 62a_100000181450_100000210206 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.75 Cc1nnc(o1)CSC(C)C 62a_100000210206_100000181450 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.75 Cc1nnc(s1)CSC(C)C 62a_100000210206_100000688753 [0,1,0,0,0,0|2,1,0]=4 942 B11R1.75 Cc1nnc(s1)CSC(C)C 62a_100000688753_100000210206 [0,1,0,0,0,0|2,1,0]=4 943 B11R1.75 Cc1noc(n1)CCC(C)C 270196a_100000212224_100000181311 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.75 Cc1noc(n1)CNC(C)C 2230a_100138425928_100000735555 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.75 Cc1noc(n1)CNC(C)C 34a_100138425928_100000735555 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.75 Cc1noc(n1)COC(C)C 270196a_100000212224_100000745533 [0,1,0,0,0,0|2,1,0]=4 947 B11R1.75 Cc1noc(n1)COC(C)C 34a_100000212225_100000735555 [0,1,0,0,0,0|2,1,0]=4 948 B11R1.75 Cc1noc(n1)COC(C)C 34a_100000749583_100000210206 [0,1,0,0,0,0|2,1,0]=4 949 B11R1.75 Cc1noc(n1)CSC(C)C 270196a_100000212224_100000241585 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.75 Cc1noc(n1)CSC(C)C 62a_100000210206_100000735555 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.75 Cc1noc(n1)CSC(C)C 62a_100000735555_100000210206 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.77 CC(C)C[C@H](N)c1c[nH]cn1 271570a_100015190218_100000756875 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.77 CC(C)C[C@H](N)c1cc[nH]n1 271570a_100015190218_100000062575 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,0,0|1,0,0]=2 959 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,1,0,0,0,0|1,1,0]=3 960 B11R1.77 CC(C)C[C@H](N)c1ccoc1 271570a_100015190218_100011215275 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.77 CC(C)C[C@H](N)c1ccsc1 271570a_100015190218_100000738268 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.77 CC(C)C[C@H](N)c1ccsn1 271570a_100015190218_100009818082 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.77 CC(C)C[C@H](N)c1cnco1 271570a_100015190218_100020591547 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.77 CC(C)C[C@H](N)c1cncs1 271570a_100015190218_100011934649 [0,1,0,0,0,0|2,1,0]=4 965 B11R1.77 CC(C)C[C@H](N)c1cscn1 271570a_100015190218_100000751502 [0,1,0,0,0,0|3,0,0]=4 966 B11R1.77 CC(C)C[C@H](N)c1ncc[nH]1 271570a_100015190218_100025796157 [0,1,0,0,0,0|3,0,0]=4 967 B11R1.77 CC(C)C[C@H](N)c1ncco1 271570a_100015190218_100011787736 [0,1,0,0,0,0|2,0,0]=3 968 B11R1.77 CC(C)C[C@H](N)c1nccs1 271570a_100015190218_100000211983 [0,1,0,0,0,0|2,1,0]=4 969 B11R1.77 CC(C)NC(C)c1cccs1 2230a_100000703493_100000210206 [0,1,0,0,0,0|1,1,0]=3 970 B11R1.77 CC(C)NC(C)c1ccoc1 2230a_100000690049_100000210206 [0,1,0,0,0,0|3,0,0]=4 971 B11R1.77 CC(C)NC(C)c1ccsc1 2230a_100000748604_100000210206 [0,1,0,0,0,0|3,0,0]=4 972 B11R1.77 CC(C)NC(C)c1nccs1 2230a_100000725601_100000210206 [0,1,0,0,0,0|2,1,0]=4 973 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,1,0,0,0,0|1,0,0]=2 974 B11R1.77 CC(C)OC(C)c1ccsc1 34a_100011350980_100000210206 [0,1,0,0,0,0|2,1,0]=4 975 B11R1.77 CC(C)OC(C)c1ccsc1 7a_100011350980_100000210206 [0,1,0,0,0,0|2,1,0]=4 976 B11R1.77 CC(C)OC(C)c1nccs1 7a_100000751044_100000210206 [0,1,0,0,0,0|1,2,0]=4 977 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,1,0,0,0,0|0,1,0]=2 978 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,1,0,0,0,0|0,1,0]=2 979 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,1,0,0,0,0|0,2,0]=3 980 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.90 CC(C)C=Cc1sccc1Br 271570a_100016257149_100012361411 [0,1,0,0,0,0|1,1,1]=4 982 B11R1.90 CC(C)CSc1sccc1Br 62a_100000210624_100012361411 [0,1,0,0,0,0|2,1,0]=4 983 B11R1.90 CC(C)CSc1sccc1Br 62a_100012361411_100000210760 [0,1,0,0,0,0|2,1,0]=4 984 B11R1.90 CC(C)NCc1[nH]ncc1Br 207a_100138425928_100000732679 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.90 CC(C)NCc1cccn1C 34a_100011219357_100000210206 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.90 CC(C)NCc1ccnn1C 207a_100138425928_100000737161 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.90 CC(C)NCc1ccnn1C 2230a_100138425928_100000691648 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.90 CC(C)NCc1ccnn1C 34a_100025706696_100000210206 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.90 CC(C)NCc1ccnn1C 34a_100138425928_100000691648 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.90 CC(C)NCc1ccsc1Br 207a_100138425928_100009816921 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.90 CC(C)NCc1ccsc1Br 2230a_100000727803_100000210206 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.90 CC(C)NCc1ccsc1Br 2230a_100138425928_100009814289 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.90 CC(C)NCc1ccsc1Br 34a_100000727803_100000210206 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.90 CC(C)NCc1ccsc1Br 34a_100138425928_100009814289 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.90 CC(C)NCc1ccsc1Cl 207a_100138425928_100000089901 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.90 CC(C)NCc1ccsc1Cl 2230a_100138425928_100010167017 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.90 CC(C)NCc1ccsc1Cl 34a_100138425928_100010167017 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.90 CC(C)NCc1cncn1C 207a_100138425928_100000750899 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.90 CC(C)NCc1cscc1Br 207a_100138425928_100000685484 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.90 CC(C)NCc1n[nH]cc1Cl 207a_100138425928_100000040271 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.90 CC(C)NCc1nccn1C 207a_100138425928_100000748660 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.90 CC(C)NCc1nccn1C 2230a_100015186572_100000210206 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.90 CC(C)NCc1nccn1C 2230a_100138425928_100000700302 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.90 CC(C)NCc1nccn1C 34a_100138425928_100000700302 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.90 CC(C)NCc1sccc1Br 207a_100138425928_100000766043 [0,1,0,0,0,0|1,1,0]=3 1006 B11R1.90 CC(C)NCc1sccc1Cl 207a_100138425928_100000722334 [0,1,0,0,0,0|1,1,0]=3 1007 B11R1.90 CC(C)NCc1sccc1Cl 2230a_100011934584_100000210206 [0,1,0,0,0,0|1,1,0]=3 1008 B11R1.90 CC(C)NCc1sccc1Cl 34a_100011934584_100000210206 [0,1,0,0,0,0|1,1,0]=3 1009 B11R1.90 CC(C)OCc1ccnn1C 34a_100000212225_100000691648 [0,1,0,0,0,0|2,1,0]=4 1010 B11R1.90 CC(C)OCc1ccnn1C 34a_100000684702_100000210206 [0,1,0,0,0,0|2,1,0]=4 1011 B11R1.90 CC(C)OCc1ccsc1Br 34a_100000212225_100009814289 [0,1,0,0,0,0|2,1,0]=4 1012 B11R1.90 CC(C)OCc1ccsc1Br 34a_100009816922_100000210206 [0,1,0,0,0,0|2,1,0]=4 1013 B11R1.90 CC(C)OCc1ccsc1Br 7a_100009816922_100000210206 [0,1,0,0,0,0|2,1,0]=4 1014 B11R1.90 CC(C)OCc1ccsc1Cl 34a_100000212225_100010167017 [0,1,0,0,0,0|2,1,0]=4 1015 B11R1.90 CC(C)OCc1cscc1Br 34a_100000724555_100000210206 [0,1,0,0,0,0|2,1,0]=4 1016 B11R1.90 CC(C)OCc1nccn1C 34a_100000212225_100000700302 [0,1,0,0,0,0|2,1,0]=4 1017 B11R1.90 CC(C)OCc1nccn1C 7a_100000691215_100000210206 [0,1,0,0,0,0|2,1,0]=4 1018 B11R1.90 CC(C)OCc1sccc1Br 34a_100000702026_100000210206 [0,1,0,0,0,0|0,2,0]=3 1019 B11R1.90 CC(C)OCc1sccc1Cl 34a_100000722387_100000210206 [0,1,0,0,0,0|0,2,0]=3 1020 B11R1.90 CC(C)OCc1sccc1Cl 7a_100000722387_100000210206 [0,1,0,0,0,0|0,2,0]=3 1021 B11R1.90 CC(C)OCc1scnc1Br 7a_100012000948_100000210206 [0,1,0,0,0,0|1,2,0]=4 1022 B11R1.90 CC(C)SCc1ccnn1C 62a_100000210206_100000691648 [0,1,0,0,0,0|2,0,0]=3 1023 B11R1.90 CC(C)SCc1ccnn1C 62a_100000691648_100000210206 [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.90 CC(C)SCc1ccsc1Br 62a_100000210206_100009814289 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.90 CC(C)SCc1ccsc1Br 62a_100009814289_100000210206 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.90 CC(C)SCc1ccsc1Cl 62a_100000210206_100010167017 [0,1,0,0,0,0|2,0,0]=3 1027 B11R1.90 CC(C)SCc1ccsc1Cl 62a_100010167017_100000210206 [0,1,0,0,0,0|2,0,0]=3 1028 B11R1.90 CC(C)SCc1nccn1C 62a_100000210206_100000700302 [0,1,0,0,0,0|2,0,0]=3 1029 B11R1.90 CC(C)SCc1nccn1C 62a_100000700302_100000210206 [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.90 CC(C)SCc1nnsc1Cl 62a_100000210206_100000018852 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.90 Cc1[nH]cnc1CNC(C)C 207a_100138425928_100000032982 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.90 Cc1[nH]cnc1CNC(C)C 2230a_100138425928_100000751220 [0,1,0,0,0,0|3,0,0]=4 1033 B11R1.90 Cc1[nH]cnc1CSC(C)C 62a_100000210206_100000751220 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.90 Cc1[nH]cnc1CSC(C)C 62a_100000751220_100000210206 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,1,0,0,0,0|1,0,0]=2 1036 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,1,0,0,0,0|0,1,0]=2 1037 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,1,0,0,0,0|0,1,0]=2 1038 B11R1.90 Cc1ccsc1C=CC(C)C 271570a_100016257149_100000742657 [0,1,0,0,0,0|1,1,1]=4 1039 B11R1.90 Cc1ccsc1CNC(C)C 207a_100138425928_100000210881 [0,1,0,0,0,0|1,1,0]=3 1040 B11R1.90 Cc1ccsc1CNC(C)C 2230a_100000238519_100000210206 [0,1,0,0,0,0|1,1,0]=3 1041 B11R1.90 Cc1ccsc1CNC(C)C 34a_100000238519_100000210206 [0,1,0,0,0,0|1,1,0]=3 1042 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,1,0,0,0,0|0,2,0]=3 1043 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,1,0,0,0,0|0,2,0]=3 1044 B11R1.90 Cc1ccsc1SCC(C)C 62a_100000210624_100010247149 [0,1,0,0,0,0|2,1,0]=4 1045 B11R1.90 Cc1ccsc1SCC(C)C 62a_100010247149_100000210760 [0,1,0,0,0,0|2,1,0]=4 1046 B11R1.90 Cc1cn[nH]c1CNC(C)C 207a_100138425928_100000708485 [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.90 Cc1cnoc1COC(C)C 34a_200011065769_100000210206 [0,1,0,0,0,0|1,1,0]=3 1048 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,1,0,0,0,0|1,1,0]=3 1049 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,1,0,0,0,0|1,1,0]=3 1050 B11R1.90 Cc1ncsc1CNC(C)C 207a_100138425928_100000764165 [0,1,0,0,0,0|2,1,0]=4 1051 B11R1.90 Cc1ncsc1CNC(C)C 2230a_100000752186_100000210206 [0,1,0,0,0,0|2,1,0]=4 1052 B11R1.90 Cc1ncsc1COC(C)C 34a_100000750112_100000210206 [0,1,0,0,0,0|1,2,0]=4 1053 B11R1.90 Cc1ncsc1COC(C)C 7a_100000750112_100000210206 [0,1,0,0,0,0|1,2,0]=4 1054 B11R1.90 Cc1nnsc1CSC(C)C 62a_100000210206_100000732739 [0,1,0,0,0,0|2,1,0]=4 1055 B11R1.90 Cc1nnsc1CSC(C)C 62a_100000732739_100000210206 [0,1,0,0,0,0|2,1,0]=4 1056 B11R1.90 Cc1nonc1CSC(C)C 62a_100000210206_200000044682 [0,1,0,0,0,0|3,0,0]=4 1057 B11R1.90 Cc1nonc1CSC(C)C 62a_200000044682_100000210206 [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.90 Cc1occc1COC(C)C 34a_100011219433_100000210206 [0,1,0,0,0,0|2,1,0]=4 1059 B11R1.90 Cc1occc1COC(C)C 7a_100011219433_100000210206 [0,1,0,0,0,0|2,1,0]=4 1060 B11R1.90 Cc1ocnc1CNC(C)C 2230a_100138425928_200000693990 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.90 Cc1ocnc1CNC(C)C 34a_100138425928_200000693990 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.90 Cc1ocnc1COC(C)C 34a_100000212225_200000693990 [0,1,0,0,0,0|2,1,0]=4 1063 B11R1.90 Cc1ocnc1COC(C)C 34a_100012017639_100000210206 [0,1,0,0,0,0|2,1,0]=4 1064 B11R1.90 Cc1ocnc1CSC(C)C 62a_100000210206_200000693990 [0,1,0,0,0,0|2,0,0]=3 1065 B11R1.90 Cc1ocnc1CSC(C)C 62a_200000693990_100000210206 [0,1,0,0,0,0|2,0,0]=3 1066 B11R1.510 CC(C)(C)C=Cc1ccco1 271570a_100102527731_100009814098 [0,1,0,0,0,0|1,0,1]=3 1067 B11R1.510 CC(C)(C)C=Cc1cccs1 271570a_100102527731_100011215356 [0,1,0,0,0,0|1,1,1]=4 1068 B11R1.510 CC(C)(C)C=Cc1cnco1 271570a_100102527731_100020591547 [0,1,0,0,0,0|2,0,1]=4 1069 B11R1.510 CC(C)(C)C=Cc1ncco1 271570a_100102527731_100011787736 [0,1,0,0,0,0|2,0,1]=4 1070 B11R1.510 CC(C)(C)CSc1ccco1 62a_100009814098_100011219605 [0,1,0,0,0,0|2,0,0]=3 1071 B11R1.510 CC(C)(C)CSc1ccco1 62a_100011219605_100009814098 [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.510 CC(C)(C)CSc1cccs1 62a_100011215356_100011219605 [0,1,0,0,0,0|2,1,0]=4 1073 B11R1.510 CC(C)(C)CSc1cccs1 62a_100011219605_100011215356 [0,1,0,0,0,0|2,1,0]=4 1074 B11R1.510 CC(C)(C)CSc1cnco1 62a_100011219605_100020591547 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.510 CC(C)(C)CSc1cnco1 62a_100020591547_100011219605 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.510 CC(C)(C)CSc1ncco1 62a_100011219605_100011787736 [0,1,0,0,0,0|3,0,0]=4 1077 B11R1.510 CC(C)(C)CSc1ncco1 62a_100011787736_100011219605 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.510 CC(C)(C)NCc1c[nH]cn1 2230a_100000715429_100000707719 [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.510 CC(C)(C)NCc1cc[nH]n1 207a_100000715429_100000738523 [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [0,1,0,0,0,0|1,0,0]=2 1081 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [0,1,0,0,0,0|1,0,0]=2 1082 B11R1.510 CC(C)(C)NCc1cccs1 207a_100000715429_100000209959 [0,1,0,0,0,0|1,1,0]=3 1083 B11R1.510 CC(C)(C)NCc1ccn[nH]1 2230a_100000715429_100000728653 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.510 CC(C)(C)NCc1ccoc1 207a_100000715429_100011215517 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.510 CC(C)(C)NCc1ccoc1 34a_100015206860_100000210625 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.510 CC(C)(C)NCc1ccon1 2230a_100000715429_100000234950 [0,1,0,0,0,0|3,0,0]=4 1087 B11R1.510 CC(C)(C)NCc1ccsc1 207a_100000715429_100000188534 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.510 CC(C)(C)NCc1ccsc1 2230a_100000715429_100011261437 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.510 CC(C)(C)NCc1ccsc1 34a_100000186416_100000210625 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.510 CC(C)(C)NCc1cnc[nH]1 207a_100000715429_100000742939 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.510 CC(C)(C)NCc1cncs1 207a_100000715429_100000749870 [0,1,0,0,0,0|2,1,0]=4 1092 B11R1.510 CC(C)(C)NCc1cncs1 2230a_100000715429_100015185245 [0,1,0,0,0,0|2,1,0]=4 1093 B11R1.510 CC(C)(C)NCc1cscn1 207a_100000715429_100000743575 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.510 CC(C)(C)NCc1cscn1 2230a_100000715429_100000205941 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.510 CC(C)(C)NCc1ncc[nH]1 207a_100000715429_100000743867 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.510 CC(C)(C)NCc1ncc[nH]1 2230a_100000715429_100016991755 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.510 CC(C)(C)NCc1ncco1 2230a_100000715429_103436540062 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.510 CC(C)(C)NCc1nccs1 207a_100000715429_100000750902 [0,1,0,0,0,0|2,1,0]=4 1099 B11R1.510 CC(C)(C)NCc1nccs1 2230a_100000715429_100015184050 [0,1,0,0,0,0|2,1,0]=4 1100 B11R1.510 CC(C)(C)OCc1c[nH]cn1 34a_100015890283_100000707719 [0,1,0,0,0,0|2,1,0]=4 1101 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [0,1,0,0,0,0|0,1,0]=2 1102 B11R1.510 CC(C)(C)OCc1cccs1 34a_100000211240_100000210625 [0,1,0,0,0,0|0,2,0]=3 1103 B11R1.510 CC(C)(C)OCc1ccn[nH]1 34a_100015890283_100000728653 [0,1,0,0,0,0|2,1,0]=4 1104 B11R1.510 CC(C)(C)OCc1ccn[nH]1 7a_100015890283_100000728653 [0,1,0,0,0,0|2,1,0]=4 1105 B11R1.510 CC(C)(C)OCc1ccno1 34a_100000740478_100000210625 [0,1,0,0,0,0|1,1,0]=3 1106 B11R1.510 CC(C)(C)OCc1ccoc1 34a_100011215357_100000210625 [0,1,0,0,0,0|2,1,0]=4 1107 B11R1.510 CC(C)(C)OCc1ccon1 34a_100015890283_100000234950 [0,1,0,0,0,0|2,1,0]=4 1108 B11R1.510 CC(C)(C)OCc1ccon1 7a_100015890283_100000234950 [0,1,0,0,0,0|2,1,0]=4 1109 B11R1.510 CC(C)(C)OCc1ccsc1 34a_100011215551_100000210625 [0,1,0,0,0,0|2,1,0]=4 1110 B11R1.510 CC(C)(C)OCc1ccsc1 34a_100015890283_100011261437 [0,1,0,0,0,0|2,1,0]=4 1111 B11R1.510 CC(C)(C)OCc1ccsc1 7a_100015890283_100011261437 [0,1,0,0,0,0|2,1,0]=4 1112 B11R1.510 CC(C)(C)OCc1cncs1 34a_100015890283_100015185245 [0,1,0,0,0,0|1,2,0]=4 1113 B11R1.510 CC(C)(C)OCc1cncs1 7a_100015890283_100015185245 [0,1,0,0,0,0|1,2,0]=4 1114 B11R1.510 CC(C)(C)OCc1cscn1 34a_100015890283_100000205941 [0,1,0,0,0,0|2,1,0]=4 1115 B11R1.510 CC(C)(C)OCc1cscn1 7a_100015890283_100000205941 [0,1,0,0,0,0|2,1,0]=4 1116 B11R1.510 CC(C)(C)OCc1ncc[nH]1 34a_100015890283_100016991755 [0,1,0,0,0,0|2,1,0]=4 1117 B11R1.510 CC(C)(C)OCc1ncc[nH]1 7a_100015890283_100000753453 [0,1,0,0,0,0|2,1,0]=4 1118 B11R1.510 CC(C)(C)OCc1ncco1 34a_100000062594_100000210625 [0,1,0,0,0,0|1,1,0]=3 1119 B11R1.510 CC(C)(C)OCc1ncco1 34a_100015890283_103436540062 [0,1,0,0,0,0|1,1,0]=3 1120 B11R1.510 CC(C)(C)OCc1ncco1 7a_100015890283_103436540062 [0,1,0,0,0,0|1,1,0]=3 1121 B11R1.510 CC(C)(C)OCc1nccs1 34a_100015890283_100015184050 [0,1,0,0,0,0|1,2,0]=4 1122 B11R1.510 CC(C)(C)OCc1nccs1 7a_100015890283_100015184050 [0,1,0,0,0,0|1,2,0]=4 1123 B11R1.510 CC(C)(C)OCn1cccn1 34a_100000731028_100000210625 [0,1,0,0,0,0|2,1,0]=4 1124 B11R1.510 CC(C)(C)SCc1c[nH]cn1 62a_100000211941_100000707719 [0,1,0,0,0,0|2,0,0]=3 1125 B11R1.510 CC(C)(C)SCc1c[nH]cn1 62a_100000707719_100000211941 [0,1,0,0,0,0|2,0,0]=3 1126 B11R1.510 CC(C)(C)SCc1ccn[nH]1 62a_100000211941_100000728653 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.510 CC(C)(C)SCc1ccn[nH]1 62a_100000728653_100000211941 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.510 CC(C)(C)SCc1ccon1 62a_100000211941_100000234950 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.510 CC(C)(C)SCc1ccon1 62a_100000234950_100000211941 [0,1,0,0,0,0|2,0,0]=3 1130 B11R1.510 CC(C)(C)SCc1ccsc1 62a_100000211941_100011233845 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.510 CC(C)(C)SCc1ccsc1 62a_100011261437_100000211941 [0,1,0,0,0,0|2,0,0]=3 1132 B11R1.510 CC(C)(C)SCc1cncs1 62a_100000211941_100015185245 [0,1,0,0,0,0|1,1,0]=3 1133 B11R1.510 CC(C)(C)SCc1cncs1 62a_100015185245_100000211941 [0,1,0,0,0,0|1,1,0]=3 1134 B11R1.510 CC(C)(C)SCc1cscn1 62a_100000205941_100000211941 [0,1,0,0,0,0|2,0,0]=3 1135 B11R1.510 CC(C)(C)SCc1cscn1 62a_100000211941_100000205941 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.510 CC(C)(C)SCc1ncc[nH]1 62a_100000211941_100016991755 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.510 CC(C)(C)SCc1ncc[nH]1 62a_100016991755_100000211941 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.510 CC(C)(C)SCc1ncco1 62a_100000211941_103436540062 [0,1,0,0,0,0|1,0,0]=2 1139 B11R1.510 CC(C)(C)SCc1ncco1 62a_103436540062_100000211941 [0,1,0,0,0,0|1,0,0]=2 1140 B11R1.510 CC(C)(C)SCc1nccs1 62a_100000211941_100015184050 [0,1,0,0,0,0|1,1,0]=3 1141 B11R1.510 CC(C)(C)SCc1nccs1 62a_100015184050_100000211941 [0,1,0,0,0,0|1,1,0]=3 1142 B11R1.510 CC(C)(C)SCc1ncon1 62a_100000211941_100000233494 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.510 CC(C)(C)SCc1ncon1 62a_100000233494_100000211941 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.510 CC(C)(C)SCn1cncn1 62a_100000211941_200020645497 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.510 CC(C)(C)SCn1cncn1 62a_200020645497_100000211941 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.510 CC(C)(F)CSc1ccco1 62a_100009814098_100011997219 [0,1,0,0,0,0|2,0,0]=3 1147 B11R1.510 CC(C)(F)CSc1ccco1 62a_100011997219_100009814098 [0,1,0,0,0,0|2,0,0]=3 1148 B11R1.510 CC(C)(F)CSc1cccs1 62a_100011215356_100011997219 [0,1,0,0,0,0|2,1,0]=4 1149 B11R1.510 CC(C)(F)CSc1cccs1 62a_100011997219_100011215356 [0,1,0,0,0,0|2,1,0]=4 1150 B11R1.510 CC(C)(F)CSc1cnco1 62a_100011997219_100020591547 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.510 CC(C)(F)CSc1cnco1 62a_100020591547_100011997219 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.510 CC(C)(F)CSc1ncco1 62a_100011787736_100011997219 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.510 CC(C)(F)CSc1ncco1 62a_100011997219_100011787736 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.510 CC(C)(O)C=Cc1ccco1 271570a_200016258132_100009814098 [0,1,0,0,0,0|1,0,1]=3 1155 B11R1.510 CC(C)(O)C=Cc1cccs1 271570a_200016258132_100011215356 [0,1,0,0,0,0|1,1,1]=4 1156 B11R1.510 CC(C)(O)C=Cc1cnco1 271570a_200016258132_100020591547 [0,1,0,0,0,0|2,0,1]=4 1157 B11R1.510 CC(C)(O)C=Cc1ncco1 271570a_200016258132_100011787736 [0,1,0,0,0,0|2,0,1]=4 1158 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.510 CC(C)(O)CSc1cccs1 62a_100000764493_100011215356 [0,1,0,0,0,0|2,1,0]=4 1161 B11R1.510 CC(C)(O)CSc1cccs1 62a_100011215356_100000764493 [0,1,0,0,0,0|2,1,0]=4 1162 B11R1.510 CC(C)(O)CSc1cnco1 62a_100000764493_100020591547 [0,1,0,0,0,0|3,0,0]=4 1163 B11R1.510 CC(C)(O)CSc1cnco1 62a_100020591547_100000764493 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.510 CC(C)(O)CSc1ncco1 62a_100000764493_100011787736 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.510 CC(C)(O)CSc1ncco1 62a_100011787736_100000764493 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_100009814098_200000036245 [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_200000036245_100009814098 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.510 C[Si](C)(C)C#Cc1ccco1 271570a_100010171944_100009814098 [0,1,0,0,0,0|1,1,1]=4 1170 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100000037933_100009814098 [0,1,0,0,0,0|2,1,0]=4 1171 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100009814098_100000037933 [0,1,0,0,0,0|2,1,0]=4 1172 B11R1.510 FC(F)(F)NCc1ccco1 34a_100000185738_200103152311 [0,1,0,0,0,0|3,0,0]=4 1173 B11R1.510 FC(F)(F)OCc1ccco1 34a_100000210059_200103152311 [0,1,0,0,0,0|2,1,0]=4 1174 B11R1.510 FC(F)(F)SCc1ncco1 62a_103436540062_200103152311 [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.510 FC(F)(F)SCc1ncco1 62a_200000243211_103436540062 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,1,0,0,0|1,1,0]=3 1177 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,0,1,0,0,0|1,0,2]=4 1178 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,0,1,0,0,0|1,0,2]=4 1179 B9R0.2 C=CCNCCSC(C)C 2230a_100000731138_100000210623 [0,0,1,0,0,0|1,0,2]=4 1180 B9R0.2 C=CCNCCSC(C)C 2230a_100020586998_100000730970 [0,0,1,0,0,0|1,0,2]=4 1181 B9R0.2 C=CCNCCSC(C)C 34a_100000731138_100015514636 [0,0,1,0,0,0|1,0,2]=4 1182 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,0,1,0,0,0|1,0,2]=4 1183 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,0,1,0,0,0|1,0,2]=4 1184 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,0,1,0,0,0|1,0,2]=4 1185 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,0,1,0,0,0|1,0,2]=4 1186 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,0,1,0,0,0|0,1,2]=4 1187 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,0,1,0,0,0|0,1,2]=4 1188 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,0,1,0,0,0|0,1,2]=4 1189 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,0,1,0,0,0|0,1,2]=4 1190 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,0,1,0,0,0|0,1,2]=4 1191 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,0,1,0,0,0|0,0,2]=3 1192 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,0,1,0,0,0|0,0,2]=3 1193 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,0,1,0,0,0|0,0,2]=3 1194 B9R0.2 C=CCSCCSC(C)C 62a_100000210623_100000730970 [0,0,1,0,0,0|0,1,2]=4 1195 B9R0.2 C=CCSCCSC(C)C 62a_100000730970_100000210623 [0,0,1,0,0,0|0,1,2]=4 1196 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [0,0,1,0,0,0|1,0,2]=4 1197 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [0,0,1,0,0,0|1,0,2]=4 1198 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,0,1,0,0,0|1,0,2]=4 1199 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,0,1,0,0,0|1,0,2]=4 1200 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,0,1,0,0,0|1,0,2]=4 1201 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,0,1,0,0,0|1,0,2]=4 1202 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,0,1,0,0,0|0,1,2]=4 1203 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,0,1,0,0,0|0,0,2]=3 1204 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,0,1,0,0,0|2,0,0]=3 1205 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,0,1,0,0,0|2,0,0]=3 1206 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,0,1,0,0,0|1,1,0]=3 1207 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,0,1,0,0,0|1,0,0]=2 1208 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,0,1,0,0,0|1,0,0]=2 1209 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,0,1,0,0,0|2,0,1]=4 1210 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,0,1,0,0,0|2,0,1]=4 1211 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,0,1,0,0,0|2,0,1]=4 1212 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,1,0,0,0|1,0,2]=4 1213 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,1,0,0,0|1,0,2]=4 1214 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,1,0,0,0|1,0,2]=4 1215 B11R2.36 CN1CCc2sccc2C1 2230a_100015185043_200000210301 [0,0,0,1,0,0|2,1,0]=4 1216 B11R2.36 CN1CCc2sccc2C1 269982a_100015185043_200000210301 [0,0,0,1,0,0|2,1,0]=4 1217 B11R2.36 CN1CCc2sccc2C1 34a_100015185043_200000210301 [0,0,0,1,0,0|2,1,0]=4 1218 B11R2.36 [13CH3]N1CCc2sccc2C1 2230a_100015185043_200025704644 [0,0,0,1,0,0|2,1,0]=4 1219 B11R2.36 [13CH3]N1CCc2sccc2C1 269982a_100015185043_200025704644 [0,0,0,1,0,0|2,1,0]=4 1220 B11R2.36 [13CH3]N1CCc2sccc2C1 34a_100015185043_200025704644 [0,0,0,1,0,0|2,1,0]=4 1221 B11R2.385 C(#CC1CC1)c2ccco2 271570a_200009880635_100009814098 [0,0,0,1,0,0|1,0,1]=3 1222 B11R2.385 C(#CC1CC1)c2cccs2 271570a_200009880635_100011215356 [0,0,0,1,0,0|1,1,1]=4 1223 B11R2.385 C(#CC1CC1)c2cnco2 271570a_200009880635_100020591547 [0,0,0,1,0,0|2,0,1]=4 1224 B11R2.385 C(#CC1CC1)c2ncco2 271570a_200009880635_100011787736 [0,0,0,1,0,0|2,0,1]=4 1225 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [0,0,0,1,0,0|1,0,1]=3 1226 B11R2.385 C(=CC1CC1)c2cccs2 271570a_100102526188_100011215356 [0,0,0,1,0,0|1,1,1]=4 1227 B11R2.385 C(=CC1CC1)c2cnco2 271570a_100102526188_100020591547 [0,0,0,1,0,0|2,0,1]=4 1228 B11R2.385 C(=CC1CC1)c2ncco2 271570a_100102526188_100011787736 [0,0,0,1,0,0|2,0,1]=4 1229 B11R2.385 c1c[nH]c(n1)CNC2CC2 34a_100000212008_100016991755 [0,0,0,1,0,0|3,0,0]=4 1230 B11R2.385 c1c[nH]c(n1)CSC2CC2 62a_100016991755_100000211595 [0,0,0,1,0,0|2,0,0]=3 1231 B11R2.385 c1cc([nH]n1)CNC2CC2 34a_100000212008_100000728653 [0,0,0,1,0,0|3,0,0]=4 1232 B11R2.385 c1cc([nH]n1)CSC2CC2 62a_100000728653_100000211595 [0,0,0,1,0,0|2,0,0]=3 1233 B11R2.385 c1cc(co1)CNC2CC2 34a_100015206860_100000211595 [0,0,0,1,0,0|3,0,0]=4 1234 B11R2.385 c1cc(co1)COC2CC2 34a_100011215357_100000211595 [0,0,0,1,0,0|2,1,0]=4 1235 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000186416_100000211595 [0,0,0,1,0,0|3,0,0]=4 1236 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000212008_100011261437 [0,0,0,1,0,0|3,0,0]=4 1237 B11R2.385 c1cc(cs1)COC2CC2 34a_100011215551_100000211595 [0,0,0,1,0,0|2,1,0]=4 1238 B11R2.385 c1cc(cs1)CSC2CC2 62a_100011261437_100000211595 [0,0,0,1,0,0|2,0,0]=3 1239 B11R2.385 c1cc(no1)CNC2CC2 34a_100000212008_100000234950 [0,0,0,1,0,0|3,0,0]=4 1240 B11R2.385 c1cc(no1)CSC2CC2 62a_100000234950_100000211595 [0,0,0,1,0,0|2,0,0]=3 1241 B11R2.385 c1cc(on1)COC2CC2 34a_100000740478_100000211595 [0,0,0,1,0,0|1,1,0]=3 1242 B11R2.385 c1cnn(c1)COC2CC2 34a_100000731028_100000211595 [0,0,0,1,0,0|2,1,0]=4 1243 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,0,0,1,0,0|1,0,0]=2 1244 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,0,0,1,0,0|0,1,0]=2 1245 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,0,0,1,0,0|2,0,0]=3 1246 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,0,0,1,0,0|2,0,0]=3 1247 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,0,0,1,0,0|3,0,0]=4 1248 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,0,0,1,0,0|3,0,0]=4 1249 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [0,0,0,1,0,0|3,0,0]=4 1250 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [0,0,0,1,0,0|3,0,0]=4 1251 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,0,0,1,0,0|3,0,0]=4 1252 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,0,0,1,0,0|3,0,0]=4 1253 B11R2.385 c1coc(n1)CNC2CC2 34a_100000212008_103436540062 [0,0,0,1,0,0|2,0,0]=3 1254 B11R2.385 c1coc(n1)COC2CC2 34a_100000062594_100000211595 [0,0,0,1,0,0|1,1,0]=3 1255 B11R2.385 c1coc(n1)CSC2CC2 62a_103436540062_100000211595 [0,0,0,1,0,0|1,0,0]=2 1256 B11R2.385 c1coc(n1)SCC2CC2 62a_100000756562_100011787736 [0,0,0,1,0,0|3,0,0]=4 1257 B11R2.385 c1coc(n1)SCC2CC2 62a_100011787736_100000742324 [0,0,0,1,0,0|3,0,0]=4 1258 B11R2.385 c1csc(c1)COC2CC2 34a_100000211240_100000211595 [0,0,0,1,0,0|0,2,0]=3 1259 B11R2.385 c1csc(c1)SCC2CC2 62a_100000756562_100011215356 [0,0,0,1,0,0|2,1,0]=4 1260 B11R2.385 c1csc(c1)SCC2CC2 62a_100011215356_100000742324 [0,0,0,1,0,0|2,1,0]=4 1261 B11R2.385 c1csc(n1)CNC2CC2 34a_100000212008_100015184050 [0,0,0,1,0,0|2,1,0]=4 1262 B11R2.385 c1csc(n1)CSC2CC2 62a_100015184050_100000211595 [0,0,0,1,0,0|1,1,0]=3 1263 B11R2.385 c1nc(c[nH]1)CNC2CC2 34a_100000212008_100000707719 [0,0,0,1,0,0|3,0,0]=4 1264 B11R2.385 c1nc(c[nH]1)CSC2CC2 62a_100000707719_100000211595 [0,0,0,1,0,0|2,0,0]=3 1265 B11R2.385 c1nc(cs1)CNC2CC2 34a_100000212008_100000205941 [0,0,0,1,0,0|3,0,0]=4 1266 B11R2.385 c1nc(cs1)CSC2CC2 62a_100000205941_100000211595 [0,0,0,1,0,0|2,0,0]=3 1267 B11R2.385 c1nc(no1)CSC2CC2 62a_100000233494_100000211595 [0,0,0,1,0,0|3,0,0]=4 1268 B11R2.385 c1ncc(o1)SCC2CC2 62a_100000756562_100020591547 [0,0,0,1,0,0|3,0,0]=4 1269 B11R2.385 c1ncc(o1)SCC2CC2 62a_100020591547_100000742324 [0,0,0,1,0,0|3,0,0]=4 1270 B11R2.385 c1ncc(s1)CNC2CC2 34a_100000212008_100015185245 [0,0,0,1,0,0|2,1,0]=4 1271 B11R2.385 c1ncc(s1)CSC2CC2 62a_100015185245_100000211595 [0,0,0,1,0,0|1,1,0]=3 1272 B11R2.385 c1ncn(n1)CSC2CC2 62a_200020645497_100000211595 [0,0,0,1,0,0|3,0,0]=4 1273 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,1,0|0,0,2]=3 1274 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,1,0|0,1,2]=4 1275 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,0,0,0,1,0|1,0,2]=4 1276 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,1,0|1,0,2]=4 1277 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|2,0,1]=4 1278 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|1,0,1]=3 1279 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|1,1,1]=4 1280 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|2,0,1]=4 1281 B9R1.13 CC(C)CN1CC=CC1 269982a_100015195280_100000210624 [0,0,0,0,1,0|2,0,1]=4 1282 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [0,0,0,0,1,0|2,1,0]=4 1283 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [0,0,0,0,1,0|2,1,0]=4 1284 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000210206_100000756875 [0,0,0,0,1,0|2,0,0]=3 1285 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000756875_100000210206 [0,0,0,0,1,0|2,0,0]=3 1286 B9R1.13 CC(C)Sc1c[nH]nn1 62a_100000210206_100009819707 [0,0,0,0,1,0|3,0,0]=4 1287 B9R1.13 CC(C)Sc1c[nH]nn1 62a_100009819707_100000210206 [0,0,0,0,1,0|3,0,0]=4 1288 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000062575_100000210206 [0,0,0,0,1,0|2,0,0]=3 1289 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000210206_100000062575 [0,0,0,0,1,0|2,0,0]=3 1290 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,1,0|0,0,0]=1 1291 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,1,0|0,0,0]=1 1292 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,0,0,0,1,0|0,1,0]=2 1293 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,0,0,0,1,0|0,1,0]=2 1294 B9R1.13 CC(C)Sc1ccoc1 62a_100000210206_100011215275 [0,0,0,0,1,0|2,0,0]=3 1295 B9R1.13 CC(C)Sc1ccoc1 62a_100011215275_100000210206 [0,0,0,0,1,0|2,0,0]=3 1296 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [0,0,0,0,1,0|2,0,0]=3 1297 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [0,0,0,0,1,0|2,0,0]=3 1298 B9R1.13 CC(C)Sc1ccsc1 62a_100000210206_100000738268 [0,0,0,0,1,0|2,0,0]=3 1299 B9R1.13 CC(C)Sc1ccsc1 62a_100000738268_100000210206 [0,0,0,0,1,0|2,0,0]=3 1300 B9R1.13 CC(C)Sc1ccsn1 62a_100000210206_100009818082 [0,0,0,0,1,0|2,0,0]=3 1301 B9R1.13 CC(C)Sc1ccsn1 62a_100009818082_100000210206 [0,0,0,0,1,0|2,0,0]=3 1302 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000210206_100000238712 [0,0,0,0,1,0|3,0,0]=4 1303 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000238712_100000210206 [0,0,0,0,1,0|3,0,0]=4 1304 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,0,0,0,1,0|1,0,0]=2 1305 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,0,0,0,1,0|1,0,0]=2 1306 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [0,0,0,0,1,0|1,1,0]=3 1307 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [0,0,0,0,1,0|1,1,0]=3 1308 B9R1.13 CC(C)Sc1cnoc1 62a_100000210206_100009815712 [0,0,0,0,1,0|3,0,0]=4 1309 B9R1.13 CC(C)Sc1cnoc1 62a_100009815712_100000210206 [0,0,0,0,1,0|3,0,0]=4 1310 B9R1.13 CC(C)Sc1cnsc1 62a_100000210206_100009815736 [0,0,0,0,1,0|3,0,0]=4 1311 B9R1.13 CC(C)Sc1cnsc1 62a_100009815736_100000210206 [0,0,0,0,1,0|3,0,0]=4 1312 B9R1.13 CC(C)Sc1cscn1 62a_100000210206_100000751502 [0,0,0,0,1,0|2,0,0]=3 1313 B9R1.13 CC(C)Sc1cscn1 62a_100000751502_100000210206 [0,0,0,0,1,0|2,0,0]=3 1314 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000210206_100000761765 [0,0,0,0,1,0|3,0,0]=4 1315 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000761765_100000210206 [0,0,0,0,1,0|3,0,0]=4 1316 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [0,0,0,0,1,0|2,0,0]=3 1317 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [0,0,0,0,1,0|2,0,0]=3 1318 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,0,0,0,1,0|1,0,0]=2 1319 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,0,0,0,1,0|1,0,0]=2 1320 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [0,0,0,0,1,0|1,1,0]=3 1321 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [0,0,0,0,1,0|1,1,0]=3 1322 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [0,0,0,0,1,0|2,1,0]=4 1323 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [0,0,0,0,1,0|2,1,0]=4 1324 B9R1.13 CC(C)Sc1nncs1 62a_100000210206_100000739804 [0,0,0,0,1,0|2,1,0]=4 1325 B9R1.13 CC(C)Sc1nncs1 62a_100000739804_100000210206 [0,0,0,0,1,0|2,1,0]=4 1326 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,0,0,0,1,0|3,0,0]=4 1327 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,0,0,0,1,0|3,0,0]=4 1328 B9R1.13 CN(C)Cc1cc[nH]n1 270004a_100102631434_100000738523 [0,0,0,0,1,0|3,0,0]=4 1329 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,1,0|1,0,0]=2 1330 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,1,0|1,0,0]=2 1331 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,1,0|1,0,0]=2 1332 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,1,0|1,1,0]=3 1333 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,1,0|1,1,0]=3 1334 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,1,0|1,1,0]=3 1335 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,0,0,0,1,0|3,0,0]=4 1336 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,0,0,0,1,0|3,0,0]=4 1337 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [0,0,0,0,1,0|3,0,0]=4 1338 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [0,0,0,0,1,0|3,0,0]=4 1339 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [0,0,0,0,1,0|3,0,0]=4 1340 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [0,0,0,0,1,0|3,0,0]=4 1341 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [0,0,0,0,1,0|3,0,0]=4 1342 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [0,0,0,0,1,0|3,0,0]=4 1343 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [0,0,0,0,1,0|3,0,0]=4 1344 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [0,0,0,0,1,0|3,0,0]=4 1345 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [0,0,0,0,1,0|3,0,0]=4 1346 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [0,0,0,0,1,0|3,0,0]=4 1347 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,0,0,0,1,0|2,0,0]=3 1348 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,0,0,0,1,0|2,1,0]=4 1349 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,0,0,0,1,0|2,1,0]=4 1350 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,0,0,0,1,0|2,1,0]=4 1351 B9R1.13 CN(C)Cc1cocn1 270004a_100102631434_100000050382 [0,0,0,0,1,0|3,0,0]=4 1352 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [0,0,0,0,1,0|3,0,0]=4 1353 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [0,0,0,0,1,0|3,0,0]=4 1354 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [0,0,0,0,1,0|3,0,0]=4 1355 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [0,0,0,0,1,0|3,0,0]=4 1356 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [0,0,0,0,1,0|3,0,0]=4 1357 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,0,0,0,1,0|3,0,0]=4 1358 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,0,0,0,1,0|3,0,0]=4 1359 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,0,0,0,1,0|3,0,0]=4 1360 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,0,0,0,1,0|3,0,0]=4 1361 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,0,0,0,1,0|2,0,0]=3 1362 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,0,0,0,1,0|2,0,0]=3 1363 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,0,0,0,1,0|2,0,0]=3 1364 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,0,0,0,1,0|2,1,0]=4 1365 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,0,0,0,1,0|2,1,0]=4 1366 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,0,0,0,1,0|2,1,0]=4 1367 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,0,0,0,1,0|2,1,0]=4 1368 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,0,0,0,1,0|2,1,0]=4 1369 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,1,0|1,0,0]=2 1370 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,1,0|1,0,0]=2 1371 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,1,0|1,1,0]=3 1372 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,1,0|1,1,0]=3 1373 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [0,0,0,0,1,0|3,0,0]=4 1374 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [0,0,0,0,1,0|3,0,0]=4 1375 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [0,0,0,0,1,0|3,0,0]=4 1376 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [0,0,0,0,1,0|3,0,0]=4 1377 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [0,0,0,0,1,0|3,0,0]=4 1378 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [0,0,0,0,1,0|3,0,0]=4 1379 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,0,0,0,1,0|3,0,0]=4 1380 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,0,0,0,1,0|3,0,0]=4 1381 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,0,0,0,1,0|2,1,0]=4 1382 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,0,0,0,1,0|2,1,0]=4 1383 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|2,0,1]=4 1384 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|1,0,1]=3 1385 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|1,1,1]=4 1386 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,0,0,0,1,0|0,0,3]=4 1387 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,0,0,0,1,0|0,0,3]=4 1388 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,1|2,0,1]=4 1389 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,0,0,0,0,1|2,0,1]=4 1390 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [0,0,0,0,0,1|2,0,1]=4 1391 B11R1.91 CC(C)C=Cc1cccnn1 271570a_100016257149_100016991348 [0,0,0,0,0,1|2,0,1]=4 1392 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [0,0,0,0,0,1|2,0,1]=4 1393 B11R1.91 CC(C)C=Cc1ccncn1 271570a_100016257149_100000703185 [0,0,0,0,0,1|2,0,1]=4 1394 B11R1.91 CC(C)C=Cc1cnccn1 271570a_100016257149_100000758340 [0,0,0,0,0,1|2,0,1]=4 1395 B11R1.91 CC(C)C=Cc1ncccn1 271570a_100016257149_100000211032 [0,0,0,0,0,1|2,0,1]=4 1396 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,1|3,0,0]=4 1397 B11R1.91 CC(C)CNc1cccnn1 27a_100000210953_100016991348 [0,0,0,0,0,1|3,0,0]=4 1398 B11R1.91 CC(C)CNc1ccncn1 27a_100000210953_100000703185 [0,0,0,0,0,1|3,0,0]=4 1399 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,0,0,0,0,1|3,0,0]=4 1400 B11R1.91 CC(C)CNc1ncccn1 27a_100000210953_100000211032 [0,0,0,0,0,1|3,0,0]=4 1401 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,1|3,0,0]=4 1402 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,1|3,0,0]=4 1403 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,0,0,0,0,1|3,0,0]=4 1404 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,0,0,0,0,1|3,0,0]=4 1405 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,0,0,0,0,1|3,0,0]=4 1406 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,1|3,0,0]=4 1407 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,1|3,0,0]=4 1408 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,0,0,0,0,1|3,0,0]=4 1409 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,0,0,0,0,1|3,0,0]=4 1410 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,0,0,0,0,1|3,0,0]=4 1411 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,0,0,0,0,1|3,0,0]=4 1412 B11R1.91 CC(C)CSc1cccnn1 62a_100000210624_100016991348 [0,0,0,0,0,1|3,0,0]=4 1413 B11R1.91 CC(C)CSc1cccnn1 62a_100016991348_100000210760 [0,0,0,0,0,1|3,0,0]=4 1414 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [0,0,0,0,0,1|3,0,0]=4 1415 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [0,0,0,0,0,1|3,0,0]=4 1416 B11R1.91 CC(C)CSc1ccncn1 62a_100000210624_100000703185 [0,0,0,0,0,1|3,0,0]=4 1417 B11R1.91 CC(C)CSc1ccncn1 62a_100000703185_100000210760 [0,0,0,0,0,1|3,0,0]=4 1418 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,0,0,0,0,1|3,0,0]=4 1419 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,0,0,0,0,1|3,0,0]=4 1420 B11R1.91 CC(C)CSc1ncccn1 62a_100000210624_100000211032 [0,0,0,0,0,1|3,0,0]=4 1421 B11R1.91 CC(C)CSc1ncccn1 62a_100000211032_100000210760 [0,0,0,0,0,1|3,0,0]=4 1422 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,0,0,0,0,1|2,0,0]=3 1423 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,0,0,0,0,1|2,0,0]=3 1424 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,0,0,0,0,1|2,0,0]=3 1425 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,0,0,0,0,1|2,0,0]=3 1426 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,0,0,0,0,1|2,0,0]=3 1427 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,0,0,0,0,1|2,0,0]=3 1428 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,0,0,0,0,1|2,0,0]=3 1429 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,0,0,0,0,1|2,0,0]=3 1430 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,0,0,0,0,1|2,0,0]=3 1431 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,0,0,0,0,1|2,0,0]=3 1432 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,0,0,0,0,1|2,0,0]=3 1433 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [0,0,0,0,0,1|2,0,0]=3 1434 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [0,0,0,0,0,1|2,0,0]=3 1435 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [0,0,0,0,0,1|2,0,0]=3 1436 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,0,0,0,0,1|2,0,0]=3 1437 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,0,0,0,0,1|2,0,0]=3 1438 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,0,0,0,0,1|2,0,0]=3 1439 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,0,0,0,0,1|2,0,0]=3 1440 B11R1.91 CC(C)NCc1cncnc1 2230a_100011243677_100000210206 [0,0,0,0,0,1|3,0,0]=4 1441 B11R1.91 CC(C)NCc1cncnc1 2230a_100138425928_100015196519 [0,0,0,0,0,1|3,0,0]=4 1442 B11R1.91 CC(C)NCc1cncnc1 34a_100138425928_100015196519 [0,0,0,0,0,1|3,0,0]=4 1443 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [0,0,0,0,0,1|2,0,0]=3 1444 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [0,0,0,0,0,1|2,0,0]=3 1445 B11R1.91 CC(C)OCC1CCC=CO1 34a_100011217868_100000210206 [0,0,0,0,0,1|0,1,2]=4 1446 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,1|1,1,0]=3 1447 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,1|1,1,0]=3 1448 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,1|1,1,0]=3 1449 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,1|1,1,0]=3 1450 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,0,0,0,0,1|1,1,0]=3 1451 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,0,0,0,0,1|1,1,0]=3 1452 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,0,0,0,0,1|1,1,0]=3 1453 B11R1.91 CC(C)OCc1cncnc1 34a_100000212225_100015196519 [0,0,0,0,0,1|2,1,0]=4 1454 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,0,0,0,0,1|1,1,0]=3 1455 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,0,0,0,0,1|1,0,0]=2 1456 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,0,0,0,0,1|1,0,0]=2 1457 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,0,0,0,0,1|1,0,0]=2 1458 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,0,0,0,0,1|1,0,0]=2 1459 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,0,0,0,0,1|1,0,0]=2 1460 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,0,0,0,0,1|1,0,0]=2 1461 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [0,0,0,0,0,1|1,0,0]=2 1462 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [0,0,0,0,0,1|1,0,0]=2 1463 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [0,0,0,0,0,1|1,0,0]=2 1464 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [0,0,0,0,0,1|1,0,0]=2 1465 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,0,0,0,0,1|1,0,0]=2 1466 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,0,0,0,0,1|1,0,0]=2 1467 B11R1.91 CC(C)SCc1cncnc1 62a_100000210206_100015196519 [0,0,0,0,0,1|2,0,0]=3 1468 B11R1.91 CC(C)SCc1cncnc1 62a_100015196519_100000210206 [0,0,0,0,0,1|2,0,0]=3 1469 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [0,0,0,0,0,1|1,0,0]=2 1470 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [0,0,0,0,0,1|1,0,0]=2 1471 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 1472 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 1473 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 1474 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 1475 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,0,0,0,0,1|3,0,0]=4 1476 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,0,0,0,0,1|3,0,0]=4 1477 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,0,0,0,0,1|3,0,0]=4 1478 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,0,0,0,0,1|3,0,0]=4 1479 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1480 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,0,0,0,0,1|3,0,0]=4 1481 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1482 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,0,0,0,0,1|3,0,0]=4 1483 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,0,0,0,0,1|3,0,0]=4 1484 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,0,0,0,0,1|3,0,0]=4 1485 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,0,0,0,0,1|3,0,0]=4 1486 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,0,0,0,0,1|3,0,0]=4 1487 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 1488 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 1489 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,0,0,0,0,1|3,0,0]=4 1490 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,0,0,0,0,1|3,0,0]=4 1491 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1492 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1493 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,0,0,0,0,1|3,0,0]=4 1494 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,0,0,0,0,1|3,0,0]=4 1495 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,1|1,0,2]=4 1496 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,1|1,0,2]=4 1497 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,1|1,0,2]=4 1498 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,1|1,0,2]=4 1499 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,1|0,1,2]=4 1500 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,0,0,0,0,1|1,0,2]=4 1501 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,0,0,0,0,1|1,0,2]=4 1502 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,0,0,1|1,0,1]=3 1503 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,0,0,1|1,0,1]=3 1504 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,0,0,1|1,1,1]=4 1505 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,0,0,1|1,1,1]=4 1506 B11R1.172 CC(=CCSc1cnco1)C 62a_100000761012_100020591547 [0,0,0,0,0,1|2,0,1]=4 1507 B11R1.172 CC(=CCSc1cnco1)C 62a_100020591547_100000761012 [0,0,0,0,0,1|2,0,1]=4 1508 B11R1.172 CC(=CCSc1ncco1)C 62a_100000761012_100011787736 [0,0,0,0,0,1|2,0,1]=4 1509 B11R1.172 CC(=CCSc1ncco1)C 62a_100011787736_100000761012 [0,0,0,0,0,1|2,0,1]=4 1510 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,1|2,0,1]=4 1511 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,1|2,0,1]=4 1512 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,1|2,0,1]=4 1513 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,1|2,0,1]=4 1514 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,1|2,0,1]=4 1515 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,1|2,0,1]=4 1516 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,1|1,1,1]=4 1517 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,1|1,1,1]=4 1518 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,0,0,0,0,1|2,1,0]=4 1519 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,0,0,0,0,1|1,0,1]=3 1520 B11R1.172 CC(C)CC=Cc1cccs1 271570a_100016259101_100011215356 [0,0,0,0,0,1|1,1,1]=4 1521 B11R1.172 CC(C)CC=Cc1cnco1 271570a_100016259101_100020591547 [0,0,0,0,0,1|2,0,1]=4 1522 B11R1.172 CC(C)CC=Cc1ncco1 271570a_100016259101_100011787736 [0,0,0,0,0,1|2,0,1]=4 1523 B11R1.172 CC(C)CCOc1ccsc1 34a_100000106738_100000210312 [0,0,0,0,0,1|3,0,0]=4 1524 B11R1.172 CC(C)CCOc1ccsc1 7a_100000106738_100000210626 [0,0,0,0,0,1|3,0,0]=4 1525 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000210312_100000756875 [0,0,0,0,0,1|3,0,0]=4 1526 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000756875_100000210312 [0,0,0,0,0,1|3,0,0]=4 1527 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000062575_100000210312 [0,0,0,0,0,1|3,0,0]=4 1528 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000210312_100000062575 [0,0,0,0,0,1|3,0,0]=4 1529 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,0,0,0,0,1|1,0,0]=2 1530 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,0,0,0,0,1|1,0,0]=2 1531 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,0,0,0,0,1|1,1,0]=3 1532 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,0,0,0,0,1|1,1,0]=3 1533 B11R1.172 CC(C)CCSc1ccoc1 62a_100000210312_100011215275 [0,0,0,0,0,1|3,0,0]=4 1534 B11R1.172 CC(C)CCSc1ccoc1 62a_100011215275_100000210312 [0,0,0,0,0,1|3,0,0]=4 1535 B11R1.172 CC(C)CCSc1ccon1 62a_100000210312_100009818083 [0,0,0,0,0,1|3,0,0]=4 1536 B11R1.172 CC(C)CCSc1ccon1 62a_100009818083_100000210312 [0,0,0,0,0,1|3,0,0]=4 1537 B11R1.172 CC(C)CCSc1ccsc1 62a_100000210312_100000738268 [0,0,0,0,0,1|3,0,0]=4 1538 B11R1.172 CC(C)CCSc1ccsc1 62a_100000738268_100000210312 [0,0,0,0,0,1|3,0,0]=4 1539 B11R1.172 CC(C)CCSc1ccsn1 62a_100000210312_100009818082 [0,0,0,0,0,1|3,0,0]=4 1540 B11R1.172 CC(C)CCSc1ccsn1 62a_100009818082_100000210312 [0,0,0,0,0,1|3,0,0]=4 1541 B11R1.172 CC(C)CCSc1cnco1 62a_100000210312_100020591547 [0,0,0,0,0,1|2,0,0]=3 1542 B11R1.172 CC(C)CCSc1cnco1 62a_100020591547_100000210312 [0,0,0,0,0,1|2,0,0]=3 1543 B11R1.172 CC(C)CCSc1cncs1 62a_100000210312_100011934649 [0,0,0,0,0,1|2,1,0]=4 1544 B11R1.172 CC(C)CCSc1cncs1 62a_100011934649_100000210312 [0,0,0,0,0,1|2,1,0]=4 1545 B11R1.172 CC(C)CCSc1cscn1 62a_100000210312_100000751502 [0,0,0,0,0,1|3,0,0]=4 1546 B11R1.172 CC(C)CCSc1cscn1 62a_100000751502_100000210312 [0,0,0,0,0,1|3,0,0]=4 1547 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100000210312_100025796157 [0,0,0,0,0,1|3,0,0]=4 1548 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100025796157_100000210312 [0,0,0,0,0,1|3,0,0]=4 1549 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [0,0,0,0,0,1|2,0,0]=3 1550 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [0,0,0,0,0,1|2,0,0]=3 1551 B11R1.172 CC(C)CCSc1nccs1 62a_100000210312_100000211983 [0,0,0,0,0,1|2,1,0]=4 1552 B11R1.172 CC(C)CCSc1nccs1 62a_100000211983_100000210312 [0,0,0,0,0,1|2,1,0]=4 1553 B11R1.172 CC(C)CNCc1c[nH]cn1 2230a_100000210953_100000707719 [0,0,0,0,0,1|3,0,0]=4 1554 B11R1.172 CC(C)CNCc1c[nH]cn1 34a_100000210953_100000707719 [0,0,0,0,0,1|3,0,0]=4 1555 B11R1.172 CC(C)CNCc1cc[nH]n1 207a_100000210953_100000738523 [0,0,0,0,0,1|3,0,0]=4 1556 B11R1.172 CC(C)CNCc1cc[nH]n1 270004a_100000210953_100000738523 [0,0,0,0,0,1|3,0,0]=4 1557 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,0,0,0,0,1|1,0,0]=2 1558 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,0,0,0,0,1|1,0,0]=2 1559 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,0,0,0,0,1|1,0,0]=2 1560 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,0,0,0,0,1|1,0,0]=2 1561 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,0,0,0,0,1|1,0,0]=2 1562 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,0,0,0,0,1|1,1,0]=3 1563 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,0,0,0,0,1|1,1,0]=3 1564 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,0,0,0,0,1|1,1,0]=3 1565 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,0,0,0,0,1|1,1,0]=3 1566 B11R1.172 CC(C)CNCc1ccn[nH]1 2230a_100000210953_100000728653 [0,0,0,0,0,1|3,0,0]=4 1567 B11R1.172 CC(C)CNCc1ccn[nH]1 34a_100000210953_100000728653 [0,0,0,0,0,1|3,0,0]=4 1568 B11R1.172 CC(C)CNCc1ccoc1 207a_100000210953_100011215517 [0,0,0,0,0,1|3,0,0]=4 1569 B11R1.172 CC(C)CNCc1ccoc1 2230a_100015206860_100000210760 [0,0,0,0,0,1|3,0,0]=4 1570 B11R1.172 CC(C)CNCc1ccoc1 270004a_100000210953_100011215517 [0,0,0,0,0,1|3,0,0]=4 1571 B11R1.172 CC(C)CNCc1ccoc1 270004a_100015206860_100000210432 [0,0,0,0,0,1|3,0,0]=4 1572 B11R1.172 CC(C)CNCc1ccoc1 34a_100015206860_100000210624 [0,0,0,0,0,1|3,0,0]=4 1573 B11R1.172 CC(C)CNCc1ccon1 2230a_100000210953_100000234950 [0,0,0,0,0,1|3,0,0]=4 1574 B11R1.172 CC(C)CNCc1ccon1 270004a_100000688301_100000210432 [0,0,0,0,0,1|3,0,0]=4 1575 B11R1.172 CC(C)CNCc1ccon1 34a_100000210953_100000234950 [0,0,0,0,0,1|3,0,0]=4 1576 B11R1.172 CC(C)CNCc1ccsc1 207a_100000210953_100000188534 [0,0,0,0,0,1|3,0,0]=4 1577 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000186416_100000210760 [0,0,0,0,0,1|3,0,0]=4 1578 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000210953_100011261437 [0,0,0,0,0,1|3,0,0]=4 1579 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000186416_100000210432 [0,0,0,0,0,1|3,0,0]=4 1580 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000210953_100000188534 [0,0,0,0,0,1|3,0,0]=4 1581 B11R1.172 CC(C)CNCc1ccsc1 34a_100000186416_100000210624 [0,0,0,0,0,1|3,0,0]=4 1582 B11R1.172 CC(C)CNCc1ccsc1 34a_100000210953_100011261437 [0,0,0,0,0,1|3,0,0]=4 1583 B11R1.172 CC(C)CNCc1cnc[nH]1 207a_100000210953_100000742939 [0,0,0,0,0,1|3,0,0]=4 1584 B11R1.172 CC(C)CNCc1cnco1 270004a_100000210953_100000064291 [0,0,0,0,0,1|2,0,0]=3 1585 B11R1.172 CC(C)CNCc1cnco1 270004a_100020634212_100000210432 [0,0,0,0,0,1|2,0,0]=3 1586 B11R1.172 CC(C)CNCc1cncs1 207a_100000210953_100000749870 [0,0,0,0,0,1|2,1,0]=4 1587 B11R1.172 CC(C)CNCc1cncs1 2230a_100000210953_100015185245 [0,0,0,0,0,1|2,1,0]=4 1588 B11R1.172 CC(C)CNCc1cncs1 2230a_100016987365_100000210760 [0,0,0,0,0,1|2,1,0]=4 1589 B11R1.172 CC(C)CNCc1cncs1 270004a_100000210953_100000749870 [0,0,0,0,0,1|2,1,0]=4 1590 B11R1.172 CC(C)CNCc1cncs1 270004a_100016987365_100000210432 [0,0,0,0,0,1|2,1,0]=4 1591 B11R1.172 CC(C)CNCc1cncs1 34a_100000210953_100015185245 [0,0,0,0,0,1|2,1,0]=4 1592 B11R1.172 CC(C)CNCc1cocn1 270004a_100000210953_100000050382 [0,0,0,0,0,1|3,0,0]=4 1593 B11R1.172 CC(C)CNCc1cocn1 270004a_100015188801_100000210432 [0,0,0,0,0,1|3,0,0]=4 1594 B11R1.172 CC(C)CNCc1cscn1 207a_100000210953_100000743575 [0,0,0,0,0,1|3,0,0]=4 1595 B11R1.172 CC(C)CNCc1cscn1 2230a_100000210953_100000205941 [0,0,0,0,0,1|3,0,0]=4 1596 B11R1.172 CC(C)CNCc1cscn1 2230a_100015185402_100000210760 [0,0,0,0,0,1|3,0,0]=4 1597 B11R1.172 CC(C)CNCc1cscn1 270004a_100000210953_100000743575 [0,0,0,0,0,1|3,0,0]=4 1598 B11R1.172 CC(C)CNCc1cscn1 34a_100000210953_100000205941 [0,0,0,0,0,1|3,0,0]=4 1599 B11R1.172 CC(C)CNCc1ncc[nH]1 207a_100000210953_100000743867 [0,0,0,0,0,1|3,0,0]=4 1600 B11R1.172 CC(C)CNCc1ncc[nH]1 2230a_100000210953_100016991755 [0,0,0,0,0,1|3,0,0]=4 1601 B11R1.172 CC(C)CNCc1ncc[nH]1 270004a_100000754540_100000210432 [0,0,0,0,0,1|3,0,0]=4 1602 B11R1.172 CC(C)CNCc1ncc[nH]1 34a_100000210953_100016991755 [0,0,0,0,0,1|3,0,0]=4 1603 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,0,0,0,0,1|2,0,0]=3 1604 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,0,0,0,0,1|2,0,0]=3 1605 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,0,0,0,0,1|2,0,0]=3 1606 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,0,0,0,0,1|2,0,0]=3 1607 B11R1.172 CC(C)CNCc1nccs1 207a_100000210953_100000750902 [0,0,0,0,0,1|2,1,0]=4 1608 B11R1.172 CC(C)CNCc1nccs1 2230a_100000210953_100015184050 [0,0,0,0,0,1|2,1,0]=4 1609 B11R1.172 CC(C)CNCc1nccs1 2230a_100000740555_100000210760 [0,0,0,0,0,1|2,1,0]=4 1610 B11R1.172 CC(C)CNCc1nccs1 270004a_100000210953_100000750902 [0,0,0,0,0,1|2,1,0]=4 1611 B11R1.172 CC(C)CNCc1nccs1 270004a_100000740555_100000210432 [0,0,0,0,0,1|2,1,0]=4 1612 B11R1.172 CC(C)CNCc1nccs1 34a_100000210953_100015184050 [0,0,0,0,0,1|2,1,0]=4 1613 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,0,0,0,0,1|2,1,0]=4 1614 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,0,0,0,0,1|0,1,0]=2 1615 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,0,0,0,0,1|0,2,0]=3 1616 B11R1.172 CC(C)COCc1ccn[nH]1 34a_100000210257_100000728653 [0,0,0,0,0,1|2,1,0]=4 1617 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,0,0,0,0,1|1,1,0]=3 1618 B11R1.172 CC(C)COCc1ccoc1 34a_100011215357_100000210624 [0,0,0,0,0,1|2,1,0]=4 1619 B11R1.172 CC(C)COCc1ccon1 34a_100000210257_100000234950 [0,0,0,0,0,1|2,1,0]=4 1620 B11R1.172 CC(C)COCc1ccsc1 34a_100000210257_100011261437 [0,0,0,0,0,1|2,1,0]=4 1621 B11R1.172 CC(C)COCc1ccsc1 34a_100011215551_100000210624 [0,0,0,0,0,1|2,1,0]=4 1622 B11R1.172 CC(C)COCc1cncs1 34a_100000210257_100015185245 [0,0,0,0,0,1|1,2,0]=4 1623 B11R1.172 CC(C)COCc1cscn1 34a_100000210257_100000205941 [0,0,0,0,0,1|2,1,0]=4 1624 B11R1.172 CC(C)COCc1ncc[nH]1 34a_100000210257_100016991755 [0,0,0,0,0,1|2,1,0]=4 1625 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,0,0,0,0,1|1,1,0]=3 1626 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,0,0,0,0,1|1,1,0]=3 1627 B11R1.172 CC(C)COCc1nccs1 34a_100000210257_100015184050 [0,0,0,0,0,1|1,2,0]=4 1628 B11R1.172 CC(C)COCn1cccn1 34a_100000731028_100000210624 [0,0,0,0,0,1|2,1,0]=4 1629 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,0,0,0,0,1|2,0,0]=3 1630 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,0,0,0,0,1|2,0,0]=3 1631 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000210624_100000728653 [0,0,0,0,0,1|2,0,0]=3 1632 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000728653_100000210760 [0,0,0,0,0,1|2,0,0]=3 1633 B11R1.172 CC(C)CSCc1ccon1 62a_100000210624_100000234950 [0,0,0,0,0,1|2,0,0]=3 1634 B11R1.172 CC(C)CSCc1ccon1 62a_100000234950_100000210760 [0,0,0,0,0,1|2,0,0]=3 1635 B11R1.172 CC(C)CSCc1ccsc1 62a_100000210624_100011233845 [0,0,0,0,0,1|2,0,0]=3 1636 B11R1.172 CC(C)CSCc1ccsc1 62a_100011261437_100000210760 [0,0,0,0,0,1|2,0,0]=3 1637 B11R1.172 CC(C)CSCc1cncs1 62a_100000210624_100015185245 [0,0,0,0,0,1|1,1,0]=3 1638 B11R1.172 CC(C)CSCc1cncs1 62a_100015185245_100000210760 [0,0,0,0,0,1|1,1,0]=3 1639 B11R1.172 CC(C)CSCc1cscn1 62a_100000205941_100000210760 [0,0,0,0,0,1|2,0,0]=3 1640 B11R1.172 CC(C)CSCc1cscn1 62a_100000210624_100000205941 [0,0,0,0,0,1|2,0,0]=3 1641 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100000210624_100016991755 [0,0,0,0,0,1|2,0,0]=3 1642 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100016991755_100000210760 [0,0,0,0,0,1|2,0,0]=3 1643 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,0,0,0,0,1|1,0,0]=2 1644 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,0,0,0,0,1|1,0,0]=2 1645 B11R1.172 CC(C)CSCc1nccs1 62a_100000210624_100015184050 [0,0,0,0,0,1|1,1,0]=3 1646 B11R1.172 CC(C)CSCc1nccs1 62a_100015184050_100000210760 [0,0,0,0,0,1|1,1,0]=3 1647 B11R1.172 CC(C)CSCc1ncon1 62a_100000210624_100000233494 [0,0,0,0,0,1|3,0,0]=4 1648 B11R1.172 CC(C)CSCc1ncon1 62a_100000233494_100000210760 [0,0,0,0,0,1|3,0,0]=4 1649 B11R1.172 CC(C)CSCn1cncn1 62a_100000210624_200020645497 [0,0,0,0,0,1|3,0,0]=4 1650 B11R1.172 CC(C)CSCn1cncn1 62a_200020645497_100000210760 [0,0,0,0,0,1|3,0,0]=4 1651 B11R1.172 CC(C)NCCc1c[nH]cn1 2230a_100138425928_100020628418 [0,0,0,0,0,1|3,0,0]=4 1652 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,0,0,0,0,1|1,0,0]=2 1653 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,0,0,0,0,1|1,0,0]=2 1654 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,0,0,0,0,1|1,1,0]=3 1655 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,0,0,0,0,1|1,1,0]=3 1656 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,0,0,0,0,1|1,1,0]=3 1657 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,0,0,0,0,1|1,1,0]=3 1658 B11R1.172 CC(C)NCCc1ccsc1 2230a_100000692642_100000210206 [0,0,0,0,0,1|3,0,0]=4 1659 B11R1.172 CC(C)NCCc1ccsc1 34a_100000692642_100000210206 [0,0,0,0,0,1|3,0,0]=4 1660 B11R1.172 CC(C)NCCc1cncs1 2230a_100016991637_100000210206 [0,0,0,0,0,1|2,1,0]=4 1661 B11R1.172 CC(C)NCCc1nccs1 2230a_100015186391_100000210206 [0,0,0,0,0,1|2,1,0]=4 1662 B11R1.172 CC(C)NCCn1cccc1 2230a_100138425928_200009811947 [0,0,0,0,0,1|3,0,0]=4 1663 B11R1.172 CC(C)NCCn1cccc1 34a_100011368172_100000210206 [0,0,0,0,0,1|3,0,0]=4 1664 B11R1.172 CC(C)NCCn1cccn1 2230a_100011200920_100000210206 [0,0,0,0,0,1|3,0,0]=4 1665 B11R1.172 CC(C)NCCn1cccn1 2230a_100138425928_100000685285 [0,0,0,0,0,1|3,0,0]=4 1666 B11R1.172 CC(C)NCCn1cccn1 34a_100138425928_100015204718 [0,0,0,0,0,1|3,0,0]=4 1667 B11R1.172 CC(C)NN=Cc1ccc[nH]1 4a_100000741168_100000211237 [0,0,0,0,0,1|2,0,1]=4 1668 B11R1.172 CC(C)NN=Cc1ccco1 4a_100000741168_100000186105 [0,0,0,0,0,1|1,0,1]=3 1669 B11R1.172 CC(C)NN=Cc1cccs1 4a_100000741168_100000209959 [0,0,0,0,0,1|1,1,1]=4 1670 B11R1.172 CC(C)NN=Cc1cnco1 4a_100000741168_100000064291 [0,0,0,0,0,1|2,0,1]=4 1671 B11R1.172 CC(C)NN=Cc1ncco1 4a_100000741168_100000064290 [0,0,0,0,0,1|2,0,1]=4 1672 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,0,0,0,0,1|0,2,0]=3 1673 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,0,0,0,0,1|0,2,0]=3 1674 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,0,0,0,0,1|0,2,0]=3 1675 B11R1.172 CC(C)OCCc1ccsc1 34a_100000748821_100000210206 [0,0,0,0,0,1|2,1,0]=4 1676 B11R1.172 CC(C)OCCc1ncc[nH]1 34a_103549771195_100000210206 [0,0,0,0,0,1|2,1,0]=4 1677 B11R1.172 CC(C)OCCn1cccc1 34a_100000179382_100000210206 [0,0,0,0,0,1|2,1,0]=4 1678 B11R1.172 CC(C)OCCn1cccn1 34a_100000212225_100015204718 [0,0,0,0,0,1|2,1,0]=4 1679 B11R1.172 CC(C)OCCn1cccn1 34a_100000743371_100000210206 [0,0,0,0,0,1|2,1,0]=4 1680 B11R1.172 CC(C)OCOc1ccsc1 34a_100000106738_100000709892 [0,0,0,0,0,1|2,1,0]=4 1681 B11R1.172 CC(C)OCSc1c[nH]cn1 62a_100000709892_100000756875 [0,0,0,0,0,1|2,1,0]=4 1682 B11R1.172 CC(C)OCSc1c[nH]cn1 62a_100000756875_100000709892 [0,0,0,0,0,1|2,1,0]=4 1683 B11R1.172 CC(C)OCSc1cc[nH]n1 62a_100000062575_100000709892 [0,0,0,0,0,1|2,1,0]=4 1684 B11R1.172 CC(C)OCSc1cc[nH]n1 62a_100000709892_100000062575 [0,0,0,0,0,1|2,1,0]=4 1685 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,0,0,0,0,1|0,1,0]=2 1686 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,0,0,0,0,1|0,1,0]=2 1687 B11R1.172 CC(C)OCSc1cccs1 62a_100000709892_100011215356 [0,0,0,0,0,1|0,2,0]=3 1688 B11R1.172 CC(C)OCSc1cccs1 62a_100011215356_100000709892 [0,0,0,0,0,1|0,2,0]=3 1689 B11R1.172 CC(C)OCSc1ccoc1 62a_100000709892_100011215275 [0,0,0,0,0,1|2,1,0]=4 1690 B11R1.172 CC(C)OCSc1ccoc1 62a_100011215275_100000709892 [0,0,0,0,0,1|2,1,0]=4 1691 B11R1.172 CC(C)OCSc1ccon1 62a_100000709892_100009818083 [0,0,0,0,0,1|2,1,0]=4 1692 B11R1.172 CC(C)OCSc1ccon1 62a_100009818083_100000709892 [0,0,0,0,0,1|2,1,0]=4 1693 B11R1.172 CC(C)OCSc1ccsc1 62a_100000709892_100000738268 [0,0,0,0,0,1|2,1,0]=4 1694 B11R1.172 CC(C)OCSc1ccsc1 62a_100000738268_100000709892 [0,0,0,0,0,1|2,1,0]=4 1695 B11R1.172 CC(C)OCSc1ccsn1 62a_100000709892_100009818082 [0,0,0,0,0,1|2,1,0]=4 1696 B11R1.172 CC(C)OCSc1ccsn1 62a_100009818082_100000709892 [0,0,0,0,0,1|2,1,0]=4 1697 B11R1.172 CC(C)OCSc1cnco1 62a_100000709892_100020591547 [0,0,0,0,0,1|1,1,0]=3 1698 B11R1.172 CC(C)OCSc1cnco1 62a_100020591547_100000709892 [0,0,0,0,0,1|1,1,0]=3 1699 B11R1.172 CC(C)OCSc1cncs1 62a_100000709892_100011934649 [0,0,0,0,0,1|1,2,0]=4 1700 B11R1.172 CC(C)OCSc1cncs1 62a_100011934649_100000709892 [0,0,0,0,0,1|1,2,0]=4 1701 B11R1.172 CC(C)OCSc1cscn1 62a_100000709892_100000751502 [0,0,0,0,0,1|2,1,0]=4 1702 B11R1.172 CC(C)OCSc1cscn1 62a_100000751502_100000709892 [0,0,0,0,0,1|2,1,0]=4 1703 B11R1.172 CC(C)OCSc1ncc[nH]1 62a_100000709892_100025796157 [0,0,0,0,0,1|2,1,0]=4 1704 B11R1.172 CC(C)OCSc1ncc[nH]1 62a_100025796157_100000709892 [0,0,0,0,0,1|2,1,0]=4 1705 B11R1.172 CC(C)OCSc1ncco1 62a_100000709892_100011787736 [0,0,0,0,0,1|1,1,0]=3 1706 B11R1.172 CC(C)OCSc1ncco1 62a_100011787736_100000709892 [0,0,0,0,0,1|1,1,0]=3 1707 B11R1.172 CC(C)OCSc1nccs1 62a_100000211983_100000709892 [0,0,0,0,0,1|1,2,0]=4 1708 B11R1.172 CC(C)OCSc1nccs1 62a_100000709892_100000211983 [0,0,0,0,0,1|1,2,0]=4 1709 B11R1.172 CC(C)SCCN1CC=CC1 269982a_100015195280_100000730970 [0,0,0,0,0,1|2,0,1]=4 1710 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100000210206_100020628418 [0,0,0,0,0,1|2,0,0]=3 1711 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100020628418_100000210206 [0,0,0,0,0,1|2,0,0]=3 1712 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,0,0,0,0,1|0,1,0]=2 1713 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,0,0,0,0,1|0,1,0]=2 1714 B11R1.172 CC(C)SCCc1cn[nH]c1 62a_100000210206_100000743252 [0,0,0,0,0,1|3,0,0]=4 1715 B11R1.172 CC(C)SCCc1cn[nH]c1 62a_100000743252_100000210206 [0,0,0,0,0,1|3,0,0]=4 1716 B11R1.172 CC(C)SCCn1cccc1 62a_100000210206_200000035178 [0,0,0,0,0,1|2,0,0]=3 1717 B11R1.172 CC(C)SCCn1cccc1 62a_200009811947_100000210206 [0,0,0,0,0,1|2,0,0]=3 1718 B11R1.172 CC(C)SCCn1cccn1 62a_100000210206_100000685285 [0,0,0,0,0,1|2,0,0]=3 1719 B11R1.172 CC(C)SCCn1cccn1 62a_100015204718_100000210206 [0,0,0,0,0,1|2,0,0]=3 1720 B11R1.172 CC(C)SCCn1ccnc1 62a_100000210206_100000702546 [0,0,0,0,0,1|3,0,0]=4 1721 B11R1.172 CC(C)SCCn1ccnc1 62a_100000702546_100000210206 [0,0,0,0,0,1|3,0,0]=4 1722 B11R1.172 CC(C)SCCn1cncn1 62a_100000210206_100000731791 [0,0,0,0,0,1|3,0,0]=4 1723 B11R1.172 CC(C)SCCn1cncn1 62a_100000731791_100000210206 [0,0,0,0,0,1|3,0,0]=4 1724 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,0,0,0,0,1|2,1,0]=4 1725 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,0,0,0,1|2,0,0]=3 1726 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,0,0,0,1|2,0,0]=3 1727 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,0,0,0,0,1|2,1,0]=4 1728 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,0,0,0,0,1|2,1,0]=4 1729 B11R1.172 CC(O)CCSc1cnco1 62a_100012276601_100020591547 [0,0,0,0,0,1|3,0,0]=4 1730 B11R1.172 CC(O)CCSc1cnco1 62a_100020591547_100012276601 [0,0,0,0,0,1|3,0,0]=4 1731 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [0,0,0,0,0,1|3,0,0]=4 1732 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [0,0,0,0,0,1|3,0,0]=4 1733 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,0,0,0,1|2,0,0]=3 1734 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,0,0,0,1|2,0,0]=3 1735 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,0,0,0,1|2,0,0]=3 1736 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,0,0,0,1|2,0,0]=3 1737 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,0,0,0,0,1|2,1,0]=4 1738 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,0,0,0,0,1|2,1,0]=4 1739 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,0,0,0,0,1|2,1,0]=4 1740 B11R1.172 CC(O)CNCc1cnco1 270004a_100000210904_100000064291 [0,0,0,0,0,1|3,0,0]=4 1741 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,0,0,0,0,1|3,0,0]=4 1742 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,0,0,0,0,1|3,0,0]=4 1743 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,0,0,0,0,1|3,0,0]=4 1744 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,0,0,0,0,1|3,0,0]=4 1745 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,0,0,0,1|1,1,0]=3 1746 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,0,0,0,0,1|1,2,0]=4 1747 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,0,0,0,0,1|2,1,0]=4 1748 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,0,0,0,0,1|2,1,0]=4 1749 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,0,0,0,0,1|3,0,0]=4 1750 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,0,0,0,0,1|3,0,0]=4 1751 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100000728653_100011218427 [0,0,0,0,0,1|3,0,0]=4 1752 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100011218427_100000728653 [0,0,0,0,0,1|3,0,0]=4 1753 B11R1.172 CC(O)CSCc1ccon1 62a_100000234950_100011218427 [0,0,0,0,0,1|3,0,0]=4 1754 B11R1.172 CC(O)CSCc1ccon1 62a_100011218427_100000234950 [0,0,0,0,0,1|3,0,0]=4 1755 B11R1.172 CC(O)CSCc1ccsc1 62a_100011218427_100011233845 [0,0,0,0,0,1|3,0,0]=4 1756 B11R1.172 CC(O)CSCc1ccsc1 62a_100011261437_100011218427 [0,0,0,0,0,1|3,0,0]=4 1757 B11R1.172 CC(O)CSCc1cncs1 62a_100011218427_100015185245 [0,0,0,0,0,1|2,1,0]=4 1758 B11R1.172 CC(O)CSCc1cncs1 62a_100015185245_100011218427 [0,0,0,0,0,1|2,1,0]=4 1759 B11R1.172 CC(O)CSCc1cscn1 62a_100000205941_100011218427 [0,0,0,0,0,1|3,0,0]=4 1760 B11R1.172 CC(O)CSCc1cscn1 62a_100011218427_100000205941 [0,0,0,0,0,1|3,0,0]=4 1761 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100011218427_100016991755 [0,0,0,0,0,1|3,0,0]=4 1762 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100016991755_100011218427 [0,0,0,0,0,1|3,0,0]=4 1763 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,0,0,0,0,1|2,0,0]=3 1764 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,0,0,0,0,1|2,0,0]=3 1765 B11R1.172 CC(O)CSCc1nccs1 62a_100011218427_100015184050 [0,0,0,0,0,1|2,1,0]=4 1766 B11R1.172 CC(O)CSCc1nccs1 62a_100015184050_100011218427 [0,0,0,0,0,1|2,1,0]=4 1767 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,0,0,0,0,1|2,0,1]=4 1768 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,0,0,0,0,1|2,1,0]=4 1769 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,0,0,0,0,1|2,1,0]=4 1770 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,0,0,0,0,1|2,0,0]=3 1771 B11R1.172 CN(C)CCSc1cccs1 62a_100011215356_100000755713 [0,0,0,0,0,1|2,1,0]=4 1772 B11R1.172 CN(C)CCSc1cnco1 62a_100020591547_100000755713 [0,0,0,0,0,1|3,0,0]=4 1773 B11R1.172 CN(C)CCSc1ncco1 62a_100011787736_100000755713 [0,0,0,0,0,1|3,0,0]=4 1774 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,0,0,0,0,1|2,1,0]=4 1775 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,0,0,0,0,1|2,1,0]=4 1776 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,0,0,0,1|2,0,0]=3 1777 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,0,0,0,1|2,0,0]=3 1778 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,0,0,0,0,1|2,1,0]=4 1779 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,0,0,0,0,1|3,0,0]=4 1780 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,0,0,0,1|1,1,0]=3 1781 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,0,0,0,0,1|1,2,0]=4 1782 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,0,0,0,0,1|2,1,0]=4 1783 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,0,0,0,0,1|2,1,0]=4 1784 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,0,0,0,0,1|3,0,0]=4 1785 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,0,0,0,0,1|3,0,0]=4 1786 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100000728653_100009817552 [0,0,0,0,0,1|3,0,0]=4 1787 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100009817552_100000728653 [0,0,0,0,0,1|3,0,0]=4 1788 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100000234950_100009817552 [0,0,0,0,0,1|3,0,0]=4 1789 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100009817552_100000234950 [0,0,0,0,0,1|3,0,0]=4 1790 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100009817552_100011233845 [0,0,0,0,0,1|3,0,0]=4 1791 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100011261437_100009817552 [0,0,0,0,0,1|3,0,0]=4 1792 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100009817552_100015185245 [0,0,0,0,0,1|2,1,0]=4 1793 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100015185245_100009817552 [0,0,0,0,0,1|2,1,0]=4 1794 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100000205941_100009817552 [0,0,0,0,0,1|3,0,0]=4 1795 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100009817552_100000205941 [0,0,0,0,0,1|3,0,0]=4 1796 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100009817552_100016991755 [0,0,0,0,0,1|3,0,0]=4 1797 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100016991755_100009817552 [0,0,0,0,0,1|3,0,0]=4 1798 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,0,0,0,0,1|2,0,0]=3 1799 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,0,0,0,0,1|2,0,0]=3 1800 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100009817552_100015184050 [0,0,0,0,0,1|2,1,0]=4 1801 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100015184050_100009817552 [0,0,0,0,0,1|2,1,0]=4 1802 B11R1.172 FC(F)CNCc1ccco1 207a_100000765723_100000186105 [0,0,0,0,0,1|3,0,0]=4 1803 B11R1.172 FC(F)CNCc1ccco1 2230a_100000185738_100011934356 [0,0,0,0,0,1|3,0,0]=4 1804 B11R1.172 FC(F)CNCc1ccco1 270004a_100000765723_100000186105 [0,0,0,0,0,1|3,0,0]=4 1805 B11R1.172 FC(F)CNCc1ccco1 34a_100000185738_100011934356 [0,0,0,0,0,1|3,0,0]=4 1806 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,0,0,0,0,1|2,1,0]=4 1807 B11R1.172 FC(F)CSCc1ncco1 62a_100011934356_103436540062 [0,0,0,0,0,1|3,0,0]=4 1808 B11R1.172 FC(F)CSCc1ncco1 62a_103436540062_100011934356 [0,0,0,0,0,1|3,0,0]=4 1809 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,1,0,0,0|1,1,0]=4 1810 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,1,0,0,0|0,0,2]=4 1811 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,1,0,0,0|0,0,2]=4 1812 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,1,0,0,0|0,0,2]=4 1813 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,0,1,0,0,0|0,0,2]=4 1814 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,0,1,0,0,0|0,0,2]=4 1815 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,0,1,0,0,0|0,0,2]=4 1816 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,0,1,0,0,0|0,0,2]=4 1817 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,0,1,0,0,0|0,0,2]=4 1818 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [1,0,1,0,0,0|0,1,1]=4 1819 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,0,1,0,0,0|1,0,1]=4 1820 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,0,1,0,0,0|1,0,1]=4 1821 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,0,1,0,0,0|0,1,1]=4 1822 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,0,1,0,0,0|0,1,1]=4 1823 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,0,1,0,0,0|0,0,1]=3 1824 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,0,1,0,0,0|0,0,1]=3 1825 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,0,1,0,0,0|0,0,2]=4 1826 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,0,1,0,0,0|0,0,2]=4 1827 B8R0.9 C=C(C#N)CSC(C)C 62a_100000210206_100000694840 [1,0,1,0,0,0|1,0,1]=4 1828 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,0,1,0,0,0|1,0,1]=4 1829 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [1,0,1,0,0,0|1,0,1]=4 1830 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [1,0,1,0,0,0|1,0,1]=4 1831 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [1,0,1,0,0,0|0,1,1]=4 1832 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [1,0,1,0,0,0|0,0,1]=3 1833 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [1,0,1,0,0,0|0,0,1]=3 1834 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,0,1,0,0,0|1,0,1]=4 1835 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,0,1,0,0,0|1,0,1]=4 1836 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [1,0,1,0,0,0|0,0,2]=4 1837 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,0,1,0,0,0|2,0,0]=4 1838 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,1,0,0,0|1,1,0]=4 1839 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,0,1,0,0,0|1,0,0]=3 1840 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,0,1,0,0,0|1,0,0]=3 1841 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [1,0,1,0,0,0|2,0,0]=4 1842 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [1,0,1,0,0,0|2,0,0]=4 1843 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,2]=4 1844 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [2,0,0,0,0,0|2,0,0]=4 1845 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [2,0,0,0,0,0|2,0,0]=4 1846 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [2,0,0,0,0,0|2,0,0]=4 1847 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [2,0,0,0,0,0|2,0,0]=4 1848 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [2,0,0,0,0,0|0,0,0]=2 1849 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [2,0,0,0,0,0|0,0,0]=2 1850 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [2,0,0,0,0,0|0,1,0]=3 1851 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [2,0,0,0,0,0|0,1,0]=3 1852 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [2,0,0,0,0,0|2,0,0]=4 1853 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [2,0,0,0,0,0|2,0,0]=4 1854 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [2,0,0,0,0,0|2,0,0]=4 1855 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [2,0,0,0,0,0|2,0,0]=4 1856 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [2,0,0,0,0,0|2,0,0]=4 1857 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [2,0,0,0,0,0|2,0,0]=4 1858 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [2,0,0,0,0,0|2,0,0]=4 1859 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [2,0,0,0,0,0|2,0,0]=4 1860 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [2,0,0,0,0,0|1,0,0]=3 1861 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [2,0,0,0,0,0|1,0,0]=3 1862 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [2,0,0,0,0,0|1,1,0]=4 1863 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [2,0,0,0,0,0|1,1,0]=4 1864 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [2,0,0,0,0,0|2,0,0]=4 1865 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [2,0,0,0,0,0|2,0,0]=4 1866 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [2,0,0,0,0,0|2,0,0]=4 1867 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [2,0,0,0,0,0|2,0,0]=4 1868 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [2,0,0,0,0,0|1,0,0]=3 1869 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [2,0,0,0,0,0|1,0,0]=3 1870 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [2,0,0,0,0,0|1,1,0]=4 1871 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [2,0,0,0,0,0|1,1,0]=4 1872 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [2,0,0,0,0,0|1,0,0]=3 1873 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 1874 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [2,0,0,0,0,0|1,0,0]=3 1875 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 1876 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [2,0,0,0,0,0|1,1,0]=4 1877 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [2,0,0,0,0,0|1,1,0]=4 1878 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [2,0,0,0,0,0|1,1,0]=4 1879 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [2,0,0,0,0,0|2,0,0]=4 1880 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [2,0,0,0,0,0|2,0,0]=4 1881 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 1882 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [2,0,0,0,0,0|2,0,0]=4 1883 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [2,0,0,0,0,0|2,0,0]=4 1884 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 1885 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [2,0,0,0,0,0|0,1,0]=3 1886 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [2,0,0,0,0,0|0,2,0]=4 1887 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [2,0,0,0,0,0|1,1,0]=4 1888 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [2,0,0,0,0,0|1,1,0]=4 1889 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [2,0,0,0,0,0|1,1,0]=4 1890 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [2,0,0,0,0,0|2,0,0]=4 1891 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [2,0,0,0,0,0|2,0,0]=4 1892 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [2,0,0,0,0,0|2,0,0]=4 1893 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [2,0,0,0,0,0|2,0,0]=4 1894 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [2,0,0,0,0,0|2,0,0]=4 1895 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [2,0,0,0,0,0|2,0,0]=4 1896 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [2,0,0,0,0,0|2,0,0]=4 1897 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [2,0,0,0,0,0|2,0,0]=4 1898 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [2,0,0,0,0,0|1,1,0]=4 1899 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [2,0,0,0,0,0|1,1,0]=4 1900 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [2,0,0,0,0,0|2,0,0]=4 1901 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [2,0,0,0,0,0|2,0,0]=4 1902 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [2,0,0,0,0,0|2,0,0]=4 1903 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [2,0,0,0,0,0|2,0,0]=4 1904 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [2,0,0,0,0,0|1,0,0]=3 1905 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [2,0,0,0,0,0|1,0,0]=3 1906 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [2,0,0,0,0,0|1,1,0]=4 1907 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [2,0,0,0,0,0|1,1,0]=4 1908 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [2,0,0,0,0,0|1,0,0]=3 1909 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [2,0,0,0,0,0|1,0,0]=3 1910 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [2,0,0,0,0,0|1,1,0]=4 1911 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [2,0,0,0,0,0|1,1,0]=4 1912 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [2,0,0,0,0,0|2,0,0]=4 1913 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [2,0,0,0,0,0|2,0,0]=4 1914 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [2,0,0,0,0,0|2,0,0]=4 1915 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [2,0,0,0,0,0|2,0,0]=4 1916 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 1917 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 1918 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [2,0,0,0,0,0|1,1,0]=4 1919 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [2,0,0,0,0,0|2,0,0]=4 1920 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [2,0,0,0,0,0|0,1,0]=3 1921 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [2,0,0,0,0,0|0,2,0]=4 1922 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [2,0,0,0,0,0|1,1,0]=4 1923 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [2,0,0,0,0,0|1,1,0]=4 1924 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [2,0,0,0,0,0|2,0,0]=4 1925 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [2,0,0,0,0,0|2,0,0]=4 1926 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [2,0,0,0,0,0|2,0,0]=4 1927 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [2,0,0,0,0,0|2,0,0]=4 1928 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [2,0,0,0,0,0|2,0,0]=4 1929 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [2,0,0,0,0,0|2,0,0]=4 1930 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [2,0,0,0,0,0|2,0,0]=4 1931 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [2,0,0,0,0,0|2,0,0]=4 1932 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [2,0,0,0,0,0|1,1,0]=4 1933 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [2,0,0,0,0,0|1,1,0]=4 1934 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [2,0,0,0,0,0|2,0,0]=4 1935 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [2,0,0,0,0,0|2,0,0]=4 1936 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [2,0,0,0,0,0|2,0,0]=4 1937 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [2,0,0,0,0,0|2,0,0]=4 1938 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [2,0,0,0,0,0|1,0,0]=3 1939 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [2,0,0,0,0,0|1,0,0]=3 1940 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [2,0,0,0,0,0|1,1,0]=4 1941 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [2,0,0,0,0,0|1,1,0]=4 1942 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,1,1,0,0,0|1,0,1]=4 1943 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,1,1,0,0,0|1,0,1]=4 1944 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,1,1,0,0,0|1,0,1]=4 1945 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,1,1,0,0,0|1,0,1]=4 1946 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [0,1,1,0,0,0|1,1,0]=4 1947 B10R0.4 C/C=C/COCCSC(C)C 34a_100016270725_100000730970 [0,1,1,0,0,0|0,0,2]=4 1948 B10R0.4 C/C=C/COCCSC(C)C 34a_200011212901_100102629194 [0,1,1,0,0,0|0,0,2]=4 1949 B10R0.4 C/C=C/COCCSC(C)C 7a_200011212901_100102629194 [0,1,1,0,0,0|0,0,2]=4 1950 B10R0.4 C=CCCOCCSC(C)C 34a_100011205117_100000730970 [0,1,1,0,0,0|0,0,2]=4 1951 B10R0.4 C=CCCOCCSC(C)C 34a_200011212901_100000754431 [0,1,1,0,0,0|0,0,2]=4 1952 B10R0.4 C=CCCOCCSC(C)C 7a_200011212901_100000754431 [0,1,1,0,0,0|0,0,2]=4 1953 B10R0.4 C=CCOCCSCC(C)C 34a_200000230437_100015514636 [0,1,1,0,0,0|0,0,2]=4 1954 B10R0.4 C=CCOCCSCC(C)C 7a_200000230437_100015514636 [0,1,1,0,0,0|0,0,2]=4 1955 B10R0.4 CC=CCOCCSC(C)C 34a_200011212901_100000070051 [0,1,1,0,0,0|0,0,2]=4 1956 B10R0.4 CC=CCOCCSC(C)C 7a_200011212901_100000070051 [0,1,1,0,0,0|0,0,2]=4 1957 B10R0.22 C/C=C/C=C/COC(C)(C)C 34a_100016283227_100000210625 [0,1,1,0,0,0|1,1,0]=4 1958 B10R0.55 C=CC(=O)NCCSC(C)C 1626a_100000731138_100000185746 [0,1,1,0,0,0|1,0,1]=4 1959 B10R0.55 C=CC(=O)NCCSC(C)C 240690a_100000731138_200121576911 [0,1,1,0,0,0|1,0,1]=4 1960 B10R0.55 C=CC(=O)OCCNC(C)C 2230a_100138425928_100009813456 [0,1,1,0,0,0|1,0,1]=4 1961 B10R0.55 C=CC(=O)OCCNC(C)C 34a_100138425928_100009813456 [0,1,1,0,0,0|1,0,1]=4 1962 B10R0.55 C=CC(=O)OCCOC(C)C 34a_100000212225_100009813456 [0,1,1,0,0,0|0,1,1]=4 1963 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100000210206_100009813456 [0,1,1,0,0,0|0,0,1]=3 1964 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100009813456_100000210206 [0,1,1,0,0,0|0,0,1]=3 1965 B10R0.55 C=CC(C)OCCSC(C)C 34a_100000695699_100000730970 [0,1,1,0,0,0|0,0,2]=4 1966 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,1,1,0,0,0|2,0,0]=4 1967 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,1,1,0,0,0|2,0,0]=4 1968 B10R0.74 C/C=C/C=C/COC(C)CC 34a_100016283227_100011215416 [0,1,1,0,0,0|1,1,0]=4 1969 B10R0.74 C/C=C/C=C/COC(C)CO 34a_100016283227_100012180447 [0,1,1,0,0,0|1,1,0]=4 1970 B10R0.78 C/C=C/CC(=O)CSC(C)C 1458a_100000241585_100102629194 [0,1,1,0,0,0|1,0,1]=4 1971 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,1,1,0,0,0|2,0,0]=4 1972 B10R0.78 C=CCCC(=O)CSC(C)C 1458a_100000241585_100000754431 [0,1,1,0,0,0|1,0,1]=4 1973 B10R0.78 C=CCNC(=O)CSC(C)C 1626a_100020586998_100000241585 [0,1,1,0,0,0|1,0,1]=4 1974 B10R0.78 C=CCNC(=O)CSC(C)C 240690a_100020586998_100000241585 [0,1,1,0,0,0|1,0,1]=4 1975 B10R0.78 C=CCNC(=O)CSC(C)C 527a_100020586998_100000241585 [0,1,1,0,0,0|1,0,1]=4 1976 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000183597_100000210206 [0,1,1,0,0,0|1,0,1]=4 1977 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000210206_100000183597 [0,1,1,0,0,0|1,0,1]=4 1978 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [0,1,1,0,0,0|1,0,1]=4 1979 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [0,1,1,0,0,0|1,0,1]=4 1980 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [0,1,1,0,0,0|0,1,1]=4 1981 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [0,1,1,0,0,0|0,0,1]=3 1982 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [0,1,1,0,0,0|0,0,1]=3 1983 B10R0.78 CC=CCC(=O)CSC(C)C 1458a_100000241585_100000070051 [0,1,1,0,0,0|1,0,1]=4 1984 B10R0.97 C=C(C)COCCSC(C)C 34a_100000210245_100000730970 [0,1,1,0,0,0|0,0,2]=4 1985 B10R0.97 C=C(C)COCCSC(C)C 34a_200011212901_100000748629 [0,1,1,0,0,0|0,0,2]=4 1986 B10R0.97 C=C(C)COCCSC(C)C 7a_200011212901_100000748629 [0,1,1,0,0,0|0,0,2]=4 1987 B10R0.97 C=C(F)COCCSC(C)C 34a_200010262243_100000730970 [0,1,1,0,0,0|0,0,2]=4 1988 B10R0.97 C=C(F)COCCSC(C)C 34a_200011212901_100009893438 [0,1,1,0,0,0|0,0,2]=4 1989 B10R0.97 C=C(F)COCCSC(C)C 7a_200011212901_100000042424 [0,1,1,0,0,0|0,0,2]=4 1990 B10R0.26 C=COC(=O)CC(=O)C(C)C 1458a_100000210198_100000036128 [0,1,1,0,0,0|2,0,0]=4 1991 B10R0.26 C=COC(=O)CN(C)C(C)C 269982a_200000211004_100000036128 [0,1,1,0,0,0|2,0,0]=4 1992 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,1,1,0,0,0|0,0,2]=4 1993 B10R0.96 C=C(F)CC(=O)CSC(C)C 1458a_100000241585_100009893438 [0,1,1,0,0,0|0,0,2]=4 1994 B10R0.108 C#CC(C)SCC(=O)OC=C 62a_200000035995_100000036128 [0,1,1,0,0,0|1,0,1]=4 1995 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,1,1,0,0,0|2,0,0]=4 1996 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [0,1,1,0,0,0|2,0,0]=4 1997 B10R0.108 C=COC(=O)COC(C)CF 34a_100016041109_100000036128 [0,1,1,0,0,0|1,1,0]=4 1998 B10R0.108 C=COC(=O)COC(C)CN 34a_100000210904_100000036128 [0,1,1,0,0,0|1,1,0]=4 1999 B10R0.108 C=COC(=O)CSC(C)C#N 62a_100000036128_100000703298 [0,1,1,0,0,0|1,0,1]=4 2000 B10R0.108 C=COC(=O)CSC(C)C#N 62a_100000703298_100000036128 [0,1,1,0,0,0|1,0,1]=4 2001 B10R0.108 C=COC(=O)CSC(C)C=C 62a_100011215867_100000036128 [0,1,1,0,0,0|1,0,1]=4 2002 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,1,1,0,0,0|1,0,0]=3 2003 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,1,1,0,0,0|1,0,0]=3 2004 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [0,1,1,0,0,0|1,0,0]=3 2005 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [0,1,1,0,0,0|1,0,0]=3 2006 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [0,1,1,0,0,0|1,0,0]=3 2007 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [0,1,1,0,0,0|1,0,0]=3 2008 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [0,1,1,0,0,0|1,0,0]=3 2009 B10R0.109 C=COC(=O)CNC(C)(C)C 2230a_100000715429_100000036128 [0,1,1,0,0,0|2,0,0]=4 2010 B10R0.109 C=COC(=O)COC(C)(C)C 34a_100015890283_100000036128 [0,1,1,0,0,0|1,1,0]=4 2011 B10R0.109 C=COC(=O)CSC(C)(C)C 62a_100000036128_100000211941 [0,1,1,0,0,0|1,0,0]=3 2012 B10R0.109 C=COC(=O)CSC(C)(C)C 62a_100000211941_100000036128 [0,1,1,0,0,0|1,0,0]=3 2013 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [1,1,0,0,0,0|2,0,0]=4 2014 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [1,1,0,0,0,0|1,1,0]=4 2015 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [1,1,0,0,0,0|1,1,0]=4 2016 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,1,0,0,0,0|1,0,0]=3 2017 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,1,0,0,0,0|0,1,0]=3 2018 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,1,0,0,0,0|0,1,0]=3 2019 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [1,1,0,0,0,0|0,2,0]=4 2020 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [1,1,0,0,0,0|1,1,0]=4 2022 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [1,1,0,0,0,0|1,1,0]=4 2023 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2024 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [1,1,0,0,0,0|1,1,0]=4 2025 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [1,1,0,0,0,0|1,1,0]=4 2026 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,1,0,0,0,0|1,1,0]=4 2027 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [1,1,0,0,0,0|1,0,0]=3 2029 B10R1.16 CCNCc1cc(cs1)Br 207a_100015525214_100000211722 [1,1,0,0,0,0|1,1,0]=4 2030 B10R1.16 CCNCc1cc(cs1)Br 2230a_100000741024_100000210202 [1,1,0,0,0,0|1,1,0]=4 2031 B10R1.16 CCNCc1cc(cs1)Br 2230a_100015525214_100000746031 [1,1,0,0,0,0|1,1,0]=4 2032 B10R1.16 CCNCc1cc(cs1)Br 270004a_100015525214_100000211722 [1,1,0,0,0,0|1,1,0]=4 2033 B10R1.16 CCNCc1cc(cs1)Br 34a_100000741024_100000210202 [1,1,0,0,0,0|1,1,0]=4 2034 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [1,1,0,0,0,0|1,1,0]=4 2035 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [1,1,0,0,0,0|1,1,0]=4 2036 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [1,1,0,0,0,0|1,1,0]=4 2037 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [1,1,0,0,0,0|1,1,0]=4 2038 B10R1.16 CCNCc1cc(cs1)Cl 207a_100015525214_100000102487 [1,1,0,0,0,0|1,1,0]=4 2039 B10R1.16 CCNCc1cc(cs1)Cl 270004a_100015525214_100000102487 [1,1,0,0,0,0|1,1,0]=4 2040 B10R1.16 CCNCc1cc(cs1)I 207a_100015525214_100010179861 [1,1,0,0,0,0|1,1,0]=4 2041 B10R1.16 CCNCc1cc(no1)Br 2230a_100015193020_100000210202 [1,1,0,0,0,0|2,0,0]=4 2042 B10R1.16 CCNCc1cc(no1)Br 270004a_100015525214_100009819588 [1,1,0,0,0,0|2,0,0]=4 2043 B10R1.16 CCNCc1cc(no1)Br 34a_100015193020_100000210202 [1,1,0,0,0,0|2,0,0]=4 2044 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [1,1,0,0,0,0|2,0,0]=4 2045 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [1,1,0,0,0,0|2,0,0]=4 2046 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [1,1,0,0,0,0|2,0,0]=4 2047 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [1,1,0,0,0,0|2,0,0]=4 2048 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [1,1,0,0,0,0|2,0,0]=4 2049 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [1,1,0,0,0,0|1,0,0]=3 2052 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [1,1,0,0,0,0|1,0,0]=3 2053 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [1,1,0,0,0,0|1,0,0]=3 2054 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [1,1,0,0,0,0|1,0,0]=3 2056 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [1,1,0,0,0,0|1,0,0]=3 2057 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [1,1,0,0,0,0|1,0,0]=3 2058 B10R1.16 CCNCc1ccc(s1)Br 207a_100015525214_100000179771 [1,1,0,0,0,0|1,1,0]=4 2059 B10R1.16 CCNCc1ccc(s1)Br 2230a_100015525214_100000708592 [1,1,0,0,0,0|1,1,0]=4 2060 B10R1.16 CCNCc1ccc(s1)Br 270004a_100015525214_100000179771 [1,1,0,0,0,0|1,1,0]=4 2061 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [1,1,0,0,0,0|1,1,0]=4 2062 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [1,1,0,0,0,0|1,1,0]=4 2063 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [1,1,0,0,0,0|1,1,0]=4 2064 B10R1.16 CCNCc1ccc(s1)Cl 207a_100015525214_100000242774 [1,1,0,0,0,0|1,1,0]=4 2065 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100000737310_100000210202 [1,1,0,0,0,0|1,1,0]=4 2066 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100015525214_100000185097 [1,1,0,0,0,0|1,1,0]=4 2067 B10R1.16 CCNCc1ccc(s1)Cl 270004a_100015525214_100000242774 [1,1,0,0,0,0|1,1,0]=4 2068 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [1,1,0,0,0,0|0,2,0]=4 2073 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [1,1,0,0,0,0|0,2,0]=4 2074 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [1,1,0,0,0,0|0,2,0]=4 2075 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [1,1,0,0,0,0|0,2,0]=4 2076 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [1,1,0,0,0,0|0,2,0]=4 2077 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [1,1,0,0,0,0|0,2,0]=4 2078 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [1,1,0,0,0,0|1,1,0]=4 2079 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [1,1,0,0,0,0|1,1,0]=4 2080 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [1,1,0,0,0,0|1,1,0]=4 2081 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [1,1,0,0,0,0|0,1,0]=3 2082 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [1,1,0,0,0,0|0,1,0]=3 2083 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [1,1,0,0,0,0|0,1,0]=3 2084 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [1,1,0,0,0,0|0,1,0]=3 2085 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [1,1,0,0,0,0|0,2,0]=4 2086 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [1,1,0,0,0,0|0,2,0]=4 2087 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [1,1,0,0,0,0|0,2,0]=4 2088 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [1,1,0,0,0,0|2,0,0]=4 2089 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [1,1,0,0,0,0|2,0,0]=4 2090 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [1,1,0,0,0,0|0,1,0]=3 2091 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [1,1,0,0,0,0|0,1,0]=3 2092 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [1,1,0,0,0,0|1,0,0]=3 2095 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [1,1,0,0,0,0|1,0,0]=3 2096 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [1,1,0,0,0,0|0,1,0]=3 2099 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [1,1,0,0,0,0|0,1,0]=3 2100 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [1,1,0,0,0,0|0,1,0]=3 2101 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [1,1,0,0,0,0|0,1,0]=3 2102 B10R1.16 CCSCc1ccn(n1)C 62a_100000210202_100000726502 [1,1,0,0,0,0|2,0,0]=4 2103 B10R1.16 CCSCc1ccn(n1)C 62a_100000726502_100000210202 [1,1,0,0,0,0|2,0,0]=4 2104 B10R1.16 CCSCc1cn(cn1)C 62a_100000210202_100000717665 [1,1,0,0,0,0|2,0,0]=4 2105 B10R1.16 CCSCc1cn(cn1)C 62a_100000717665_100000210202 [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.16 CCSCc1cnc(s1)Br 62a_100000210202_100000717027 [1,1,0,0,0,0|1,1,0]=4 2107 B10R1.16 CCSCc1cnc(s1)Br 62a_100000717027_100000210202 [1,1,0,0,0,0|1,1,0]=4 2108 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [1,1,0,0,0,0|1,1,0]=4 2109 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [1,1,0,0,0,0|1,1,0]=4 2110 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000058068_100000210202 [1,1,0,0,0,0|1,1,0]=4 2111 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000210202_100000058068 [1,1,0,0,0,0|1,1,0]=4 2112 B10R1.16 CCSCc1csc(n1)C 62a_100000210202_100015186478 [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.16 CCSCc1csc(n1)C 62a_100015186478_100000210202 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.16 CCSCc1csc(n1)Cl 62a_100000024076_100000210202 [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.16 CCSCc1csc(n1)Cl 62a_100000210202_100000024076 [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.16 CCSCc1nc(no1)C 270196a_100000212224_100000230394 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.16 CCSCc1nc(no1)C 62a_100000210202_100000735555 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.16 CCSCc1nc(no1)C 62a_100000735555_100000210202 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.16 CCSCc1nnc(o1)C 62a_100000181450_100000210202 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.16 CCSCc1nnc(o1)C 62a_100000210202_100000181450 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2125 B10R1.16 Cc1cc(on1)CSCF 62a_100000707947_100015361967 [1,1,0,0,0,0|2,0,0]=4 2126 B10R1.16 Cc1cc(on1)CSCF 62a_100015361967_100000707947 [1,1,0,0,0,0|2,0,0]=4 2127 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [1,1,0,0,0,0|1,1,0]=4 2133 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [1,1,0,0,0,0|1,1,0]=4 2134 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [1,1,0,0,0,0|2,0,0]=4 2135 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [1,1,0,0,0,0|1,1,0]=4 2136 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [1,1,0,0,0,0|1,1,0]=4 2137 B10R1.16 FCSCc1cc(cs1)Br 62a_100000746031_100015361967 [1,1,0,0,0,0|1,1,0]=4 2138 B10R1.16 FCSCc1cc(cs1)Br 62a_100015361967_100000746031 [1,1,0,0,0,0|1,1,0]=4 2139 B10R1.16 FCSCc1cc(no1)Br 62a_100000709089_100015361967 [1,1,0,0,0,0|2,0,0]=4 2140 B10R1.16 FCSCc1cc(no1)Br 62a_100015361967_100000709089 [1,1,0,0,0,0|2,0,0]=4 2141 B10R1.16 FCSCc1ccc(s1)Br 62a_100000708592_100015361967 [1,1,0,0,0,0|1,1,0]=4 2142 B10R1.16 FCSCc1ccc(s1)Br 62a_100015361967_100000708592 [1,1,0,0,0,0|1,1,0]=4 2143 B10R1.16 FCSCc1ccc(s1)Cl 62a_100000185097_100015361967 [1,1,0,0,0,0|1,1,0]=4 2144 B10R1.16 FCSCc1ccc(s1)Cl 62a_100015361967_100000185097 [1,1,0,0,0,0|1,1,0]=4 2145 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [1,1,0,0,0,0|1,1,0]=4 2146 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [1,1,0,0,0,0|1,0,1]=4 2147 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [1,1,0,0,0,0|1,0,1]=4 2148 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [1,1,0,0,0,0|0,1,1]=4 2149 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [1,1,0,0,0,0|1,0,1]=4 2150 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,1,0,0,0,0|1,0,1]=4 2151 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,1,0,0,0,0|1,0,1]=4 2152 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [1,1,0,0,0,0|1,0,1]=4 2153 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [1,1,0,0,0,0|1,0,1]=4 2154 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [1,1,0,0,0,0|1,0,1]=4 2155 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [1,1,0,0,0,0|0,1,1]=4 2156 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [1,1,0,0,0,0|1,0,1]=4 2157 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [1,1,0,0,0,0|1,0,1]=4 2158 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [1,1,0,0,0,0|1,0,1]=4 2159 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [1,1,0,0,0,0|1,0,1]=4 2160 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,1,0,0,0,0|1,0,1]=4 2161 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,1,0,0,0,0|1,0,1]=4 2162 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,1,0,0,0,0|1,0,1]=4 2163 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,1,0,0,0,0|1,0,0]=3 2164 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,1,0,0,0,0|1,0,0]=3 2165 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,1,0,0,0,0|1,1,0]=4 2166 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,1,0,0,0,0|1,1,0]=4 2167 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [1,1,0,0,0,0|2,0,0]=4 2169 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [1,1,0,0,0,0|2,0,0]=4 2170 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [1,1,0,0,0,0|2,0,0]=4 2171 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,1,0,0,0,0|1,0,0]=3 2172 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,1,0,0,0,0|1,0,0]=3 2173 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,1,0,0,0,0|1,0,0]=3 2174 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,1,0,0,0,0|1,0,0]=3 2175 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,1,0,0,0,0|1,1,0]=4 2176 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,1,0,0,0,0|1,1,0]=4 2177 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,1,0,0,0,0|1,1,0]=4 2178 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,1,0,0,0,0|0,1,0]=3 2182 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,1,0,0,0,0|0,2,0]=4 2183 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,1,0,0,0,0|1,1,0]=4 2184 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,1,0,0,0,0|1,1,0]=4 2185 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,1,0,0,0,0|1,1,0]=4 2186 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [1,1,0,0,0,0|2,0,0]=4 2187 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [1,1,0,0,0,0|2,0,0]=4 2188 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [1,1,0,0,0,0|2,0,0]=4 2189 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [1,1,0,0,0,0|1,1,0]=4 2195 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [1,1,0,0,0,0|1,1,0]=4 2196 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [1,1,0,0,0,0|2,0,0]=4 2197 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [1,1,0,0,0,0|2,0,0]=4 2198 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [1,1,0,0,0,0|2,0,0]=4 2199 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [1,1,0,0,0,0|2,0,0]=4 2200 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,1,0,0,0,0|1,0,0]=3 2201 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [1,1,0,0,0,0|1,1,0]=4 2203 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [1,1,0,0,0,0|1,1,0]=4 2204 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,1,0,0,0,0|1,0,0]=3 2205 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,1,0,0,0,0|1,0,0]=3 2206 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,1,0,0,0,0|1,1,0]=4 2207 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,1,0,0,0,0|1,1,0]=4 2208 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,1,0,0,0,0|1,1,0]=4 2209 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [1,1,0,0,0,0|1,0,1]=4 2210 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [1,1,0,0,0,0|0,1,1]=4 2211 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,1,0,0,0,0|0,2,0]=4 2212 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,1,0,0,0,0|0,2,0]=4 2213 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,1,0,0,0,0|0,2,0]=4 2214 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [1,1,0,0,0,0|0,1,0]=3 2215 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [1,1,0,0,0,0|0,1,0]=3 2216 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [1,1,0,0,0,0|0,2,0]=4 2217 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [1,1,0,0,0,0|0,2,0]=4 2218 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [1,1,0,0,0,0|1,1,0]=4 2219 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [1,1,0,0,0,0|1,1,0]=4 2220 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [1,1,0,0,0,0|1,1,0]=4 2221 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [1,1,0,0,0,0|1,1,0]=4 2222 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,1,0,0,0,0|0,1,0]=3 2225 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,1,0,0,0,0|0,1,0]=3 2226 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [1,1,0,0,0,0|2,0,0]=4 2227 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,1,0,0,0,0|1,1,0]=4 2232 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,1,0,0,0,0|1,1,0]=4 2233 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,1,0,0,0,0|1,1,0]=4 2234 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,1,0,0,0,0|1,0,1]=4 2235 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,1,0,0,0,0|1,1,0]=4 2236 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,1,0,0,0,0|1,1,0]=4 2237 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,1,0,0,0,0|1,1,0]=4 2238 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,1,0,0,0,0|1,0,0]=3 2241 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [1,1,0,0,0,0|1,1,0]=4 2242 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [1,1,0,0,0,0|2,0,0]=4 2249 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [1,1,0,0,0,0|1,1,0]=4 2252 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [1,1,0,0,0,0|1,1,0]=4 2253 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [1,1,0,0,0,0|2,0,0]=4 2254 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [1,1,0,0,0,0|2,0,0]=4 2255 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [1,1,0,0,0,0|2,0,0]=4 2256 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [1,1,0,0,0,0|1,0,0]=3 2258 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [1,1,0,0,0,0|1,0,0]=3 2259 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [1,1,0,0,0,0|1,1,0]=4 2260 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [1,1,0,0,0,0|1,1,0]=4 2261 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,1,0,0,0,0|1,1,0]=4 2262 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,1,0,0,0,0|1,1,0]=4 2263 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,1,0,0,0,0|2,0,0]=4 2264 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,1,0,0,0,0|2,0,0]=4 2265 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,1,0,0,0,0|1,0,0]=3 2266 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,1,0,0,0,0|1,0,0]=3 2267 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [1,1,0,0,0,0|1,1,0]=4 2268 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,1,0,0,0,0|0,1,0]=3 2270 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [1,1,0,0,0,0|0,2,0]=4 2271 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [1,1,0,0,0,0|1,1,0]=4 2272 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [1,1,0,0,0,0|1,1,0]=4 2273 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [1,1,0,0,0,0|2,0,0]=4 2275 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [1,1,0,0,0,0|2,0,0]=4 2279 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [1,1,0,0,0,0|2,0,0]=4 2280 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [1,1,0,0,0,0|2,0,0]=4 2281 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [1,1,0,0,0,0|1,1,0]=4 2282 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [1,1,0,0,0,0|1,1,0]=4 2283 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [1,1,0,0,0,0|2,0,0]=4 2284 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [1,1,0,0,0,0|2,0,0]=4 2286 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [1,1,0,0,0,0|2,0,0]=4 2287 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [1,1,0,0,0,0|1,0,0]=3 2288 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [1,1,0,0,0,0|1,0,0]=3 2289 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [1,1,0,0,0,0|1,1,0]=4 2290 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [1,1,0,0,0,0|1,1,0]=4 2291 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,1,0,0,0,0|1,0,0]=3 2294 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,1,0,0,0,0|1,0,0]=3 2295 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [1,1,0,0,0,0|1,1,0]=4 2296 B10R1.21 FCCNCc1ncco1 2230a_100016994969_100011217306 [1,1,0,0,0,0|2,0,0]=4 2297 B10R1.21 FCCNCc1ncco1 34a_100000724931_103436540062 [1,1,0,0,0,0|2,0,0]=4 2298 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,1,0,0,0,0|0,1,0]=3 2299 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [1,1,0,0,0,0|0,2,0]=4 2300 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [1,1,0,0,0,0|1,1,0]=4 2301 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [1,1,0,0,0,0|1,1,0]=4 2302 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [1,1,0,0,0,0|2,0,0]=4 2303 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [1,1,0,0,0,0|2,0,0]=4 2304 B10R1.21 FCCSCc1ccn[nH]1 62a_100000728653_100011217306 [1,1,0,0,0,0|2,0,0]=4 2305 B10R1.21 FCCSCc1ccn[nH]1 62a_100011217306_100000728653 [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.21 FCCSCc1ccon1 62a_100000234950_100011217306 [1,1,0,0,0,0|2,0,0]=4 2307 B10R1.21 FCCSCc1ccon1 62a_100011217306_100000234950 [1,1,0,0,0,0|2,0,0]=4 2308 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [1,1,0,0,0,0|2,0,0]=4 2309 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [1,1,0,0,0,0|2,0,0]=4 2310 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [1,1,0,0,0,0|1,1,0]=4 2311 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [1,1,0,0,0,0|1,1,0]=4 2312 B10R1.21 FCCSCc1cscn1 62a_100000205941_100011217306 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.21 FCCSCc1cscn1 62a_100011217306_100000205941 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.21 FCCSCc1ncc[nH]1 62a_100011217306_100016991755 [1,1,0,0,0,0|2,0,0]=4 2315 B10R1.21 FCCSCc1ncc[nH]1 62a_100016991755_100011217306 [1,1,0,0,0,0|2,0,0]=4 2316 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [1,1,0,0,0,0|1,0,0]=3 2317 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [1,1,0,0,0,0|1,0,0]=3 2318 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [1,1,0,0,0,0|1,1,0]=4 2319 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [1,1,0,0,0,0|1,1,0]=4 2320 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [1,1,0,0,0,0|2,0,0]=4 2321 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [1,1,0,0,0,0|1,1,0]=4 2322 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [1,1,0,0,0,0|1,1,0]=4 2323 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [1,1,0,0,0,0|1,0,1]=4 2324 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [1,1,0,0,0,0|1,0,1]=4 2325 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [1,1,0,0,0,0|1,0,1]=4 2326 B10R1.21 N#CSCSc1ccco1 62a_100000211825_100009814098 [1,1,0,0,0,0|1,0,1]=4 2327 B10R1.21 N#CSCSc1ccco1 62a_100009814098_100000211825 [1,1,0,0,0,0|1,0,1]=4 2328 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [1,1,0,0,0,0|1,1,0]=4 2329 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,1,0,0,0,0|1,0,1]=4 2330 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,1,0,0,0,0|1,0,1]=4 2331 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,1,0,0,0,0|0,1,1]=4 2332 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [1,1,0,0,0,0|1,0,1]=4 2333 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [1,1,0,0,0,0|1,0,1]=4 2334 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,1,0,0,0,0|2,0,0]=4 2335 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,1,0,0,0,0|2,0,0]=4 2336 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,1,0,0,0,0|1,0,0]=3 2337 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,1,0,0,0,0|1,0,0]=3 2338 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,1,0,0,0,0|1,0,0]=3 2339 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,1,0,0,0,0|1,0,0]=3 2340 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [1,1,0,0,0,0|1,1,0]=4 2341 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [1,1,0,0,0,0|1,1,0]=4 2342 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [1,1,0,0,0,0|1,1,0]=4 2343 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [1,1,0,0,0,0|2,0,0]=4 2344 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [1,1,0,0,0,0|2,0,0]=4 2346 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [1,1,0,0,0,0|2,0,0]=4 2347 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [1,1,0,0,0,0|2,0,0]=4 2348 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,1,0,0,0,0|0,1,0]=3 2349 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [1,1,0,0,0,0|0,2,0]=4 2350 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [1,1,0,0,0,0|1,1,0]=4 2351 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [1,1,0,0,0,0|1,1,0]=4 2352 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [1,1,0,0,0,0|2,0,0]=4 2356 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [1,1,0,0,0,0|2,0,0]=4 2358 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [1,1,0,0,0,0|2,0,0]=4 2360 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [1,1,0,0,0,0|1,1,0]=4 2361 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [1,1,0,0,0,0|1,1,0]=4 2362 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [1,1,0,0,0,0|2,0,0]=4 2364 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [1,1,0,0,0,0|2,0,0]=4 2365 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [1,1,0,0,0,0|2,0,0]=4 2366 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [1,1,0,0,0,0|1,0,0]=3 2367 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [1,1,0,0,0,0|1,0,0]=3 2368 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [1,1,0,0,0,0|1,1,0]=4 2369 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [1,1,0,0,0,0|1,1,0]=4 2370 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,1,0,0,0,0|1,1,0]=4 2371 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,1,0,0,0,0|1,1,0]=4 2372 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,1,0,0,0,0|1,1,0]=4 2373 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,1,0,0,0,0|1,1,0]=4 2374 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,1,0,0,0,0|2,0,0]=4 2376 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [1,1,0,0,0,0|2,0,0]=4 2377 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,1,0,0,0,0|1,0,0]=3 2378 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [1,1,0,0,0,0|1,1,0]=4 2379 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [1,1,0,0,0,0|2,0,0]=4 2380 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [1,1,0,0,0,0|2,0,0]=4 2381 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [1,1,0,0,0,0|2,0,0]=4 2382 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [1,1,0,0,0,0|1,0,0]=3 2383 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [1,1,0,0,0,0|1,0,0]=3 2384 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [1,1,0,0,0,0|1,0,0]=3 2385 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [1,1,0,0,0,0|1,0,0]=3 2386 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [1,1,0,0,0,0|1,1,0]=4 2387 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [1,1,0,0,0,0|1,1,0]=4 2388 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [1,1,0,0,0,0|1,1,0]=4 2389 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [1,1,0,0,0,0|1,1,0]=4 2390 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [1,1,0,0,0,0|2,0,0]=4 2391 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [1,1,0,0,0,0|2,0,0]=4 2392 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [1,1,0,0,0,0|1,0,0]=3 2393 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [1,1,0,0,0,0|1,0,0]=3 2394 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [1,1,0,0,0,0|1,1,0]=4 2395 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [1,1,0,0,0,0|1,1,0]=4 2396 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [1,1,0,0,0,0|2,0,0]=4 2397 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [1,1,0,0,0,0|2,0,0]=4 2398 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [1,1,0,0,0,0|2,0,0]=4 2399 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,1,0,0,0,0|2,0,0]=4 2400 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,1,0,0,0,0|2,0,0]=4 2401 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [1,1,0,0,0,0|2,0,0]=4 2403 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [1,1,0,0,0,0|1,1,0]=4 2404 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,1,0,0,0,0|1,1,0]=4 2405 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [1,1,0,0,0,0|2,0,0]=4 2406 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [1,1,0,0,0,0|2,0,0]=4 2407 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [1,1,0,0,0,0|1,0,0]=3 2408 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [1,1,0,0,0,0|1,0,0]=3 2409 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [1,1,0,0,0,0|1,0,0]=3 2410 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [1,1,0,0,0,0|1,1,0]=4 2411 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [1,1,0,0,0,0|1,1,0]=4 2412 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [1,1,0,0,0,0|1,1,0]=4 2413 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [1,1,0,0,0,0|1,1,0]=4 2414 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [1,1,0,0,0,0|1,1,0]=4 2415 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [1,1,0,0,0,0|1,1,0]=4 2416 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [1,1,0,0,0,0|1,1,0]=4 2417 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [1,1,0,0,0,0|1,1,0]=4 2418 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [1,1,0,0,0,0|1,1,0]=4 2419 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [1,1,0,0,0,0|1,1,0]=4 2420 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [1,1,0,0,0,0|0,1,0]=3 2421 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [1,1,0,0,0,0|0,1,0]=3 2422 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [1,1,0,0,0,0|1,1,0]=4 2423 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [1,1,0,0,0,0|1,1,0]=4 2424 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [1,1,0,0,0,0|1,1,0]=4 2425 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [1,1,0,0,0,0|0,2,0]=4 2426 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [1,1,0,0,0,0|0,2,0]=4 2427 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [1,1,0,0,0,0|0,2,0]=4 2428 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [1,1,0,0,0,0|0,2,0]=4 2429 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [1,1,0,0,0,0|0,2,0]=4 2430 B10R1.29 CCSCc1ccnn1C 62a_100000210202_100000691648 [1,1,0,0,0,0|2,0,0]=4 2431 B10R1.29 CCSCc1ccnn1C 62a_100000691648_100000210202 [1,1,0,0,0,0|2,0,0]=4 2432 B10R1.29 CCSCc1ccsc1Br 62a_100000210202_100009814289 [1,1,0,0,0,0|2,0,0]=4 2433 B10R1.29 CCSCc1ccsc1Br 62a_100009814289_100000210202 [1,1,0,0,0,0|2,0,0]=4 2434 B10R1.29 CCSCc1ccsc1Cl 62a_100000210202_100010167017 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.29 CCSCc1ccsc1Cl 62a_100010167017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.29 CCSCc1nc[nH]c1C 62a_100000210202_100000751220 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.29 CCSCc1nc[nH]c1C 62a_100000751220_100000210202 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.29 CCSCc1nccn1C 62a_100000210202_100000700302 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.29 CCSCc1nccn1C 62a_100000700302_100000210202 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.29 CCSCc1ncoc1C 62a_100000210202_200000693990 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.29 CCSCc1ncoc1C 62a_200000693990_100000210202 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [1,1,0,0,0,0|1,1,0]=4 2443 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [1,1,0,0,0,0|1,1,0]=4 2444 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,1,0|0,0,2]=4 2445 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,1,0|1,0,0]=3 2446 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,1,0|1,0,0]=3 2447 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,1,0|1,0,0]=3 2448 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,1,0|1,0,0]=3 2449 B10R1.23 CC(c1cccs1)N(C)C 2230a_100000186410_200000210301 [0,1,0,0,1,0|1,1,0]=4 2450 B10R1.23 CC(c1cccs1)N(C)C 269982a_100000186410_200000210301 [0,1,0,0,1,0|1,1,0]=4 2451 B10R1.23 CC(c1cccs1)N(C)[13CH3] 2230a_100000186410_200025704644 [0,1,0,0,1,0|1,1,0]=4 2452 B10R1.23 CC(c1cccs1)N(C)[13CH3] 269982a_100000186410_200025704644 [0,1,0,0,1,0|1,1,0]=4 2453 B10R1.54 CC(C)Cn1cc(cn1)O 271570a_203496583355_100012073154 [0,1,0,0,1,0|2,0,0]=4 2454 B10R1.54 CC(C)Sc1cc([nH]n1)N 62a_100000210206_100009822546 [0,1,0,0,1,0|2,0,0]=4 2455 B10R1.54 CC(C)Sc1cc([nH]n1)N 62a_100009822546_100000210206 [0,1,0,0,1,0|2,0,0]=4 2456 B10R1.54 CC(C)Sc1cc(n[nH]1)Br 62a_100000210206_100160470719 [0,1,0,0,1,0|2,0,0]=4 2457 B10R1.54 CC(C)Sc1cc(n[nH]1)Br 62a_100160470719_100000210206 [0,1,0,0,1,0|2,0,0]=4 2458 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100000210206_100010197418 [0,1,0,0,1,0|0,1,0]=3 2459 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100010197418_100000210206 [0,1,0,0,1,0|0,1,0]=3 2460 B10R1.54 CC(C)Sc1ccn(n1)C 62a_100000210206_100000752436 [0,1,0,0,1,0|2,0,0]=4 2461 B10R1.54 CC(C)Sc1ccn(n1)C 62a_100000752436_100000210206 [0,1,0,0,1,0|2,0,0]=4 2462 B10R1.54 CC(C)Sc1cn(cn1)C 62a_100000040308_100000210206 [0,1,0,0,1,0|2,0,0]=4 2463 B10R1.54 CC(C)Sc1cn(cn1)C 62a_100000210206_100000040308 [0,1,0,0,1,0|2,0,0]=4 2464 B10R1.54 CC(C)Sc1cnc(s1)Br 62a_100000210206_100012357534 [0,1,0,0,1,0|1,1,0]=4 2465 B10R1.54 CC(C)Sc1cnc(s1)Br 62a_100012357534_100000210206 [0,1,0,0,1,0|1,1,0]=4 2466 B10R1.54 CC(C)Sc1cnc(s1)N 62a_100000210206_100000718969 [0,1,0,0,1,0|1,1,0]=4 2467 B10R1.54 CC(C)Sc1cnc(s1)N 62a_100000718969_100000210206 [0,1,0,0,1,0|1,1,0]=4 2468 B10R1.54 CC(C)Sc1csc(n1)N 62a_100000210206_100011998049 [0,1,0,0,1,0|2,0,0]=4 2469 B10R1.54 CC(C)Sc1csc(n1)N 62a_100011998049_100000210206 [0,1,0,0,1,0|2,0,0]=4 2470 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_100000210206_200016082925 [0,1,0,0,1,0|1,1,0]=4 2471 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_200016082925_100000210206 [0,1,0,0,1,0|1,1,0]=4 2472 B10R1.54 CC(C)Sc1nc(cs1)N 62a_100000210206_200015188442 [0,1,0,0,1,0|1,1,0]=4 2473 B10R1.54 CC(C)Sc1nc(cs1)N 62a_200015188442_100000210206 [0,1,0,0,1,0|1,1,0]=4 2474 B10R1.54 CN(C)Cc1cc(c[nH]1)Br 270004a_100102631434_100000720742 [0,1,0,0,1,0|2,0,0]=4 2475 B10R1.54 CN(C)Cc1cc(co1)Br 270004a_100102631434_100000747035 [0,1,0,0,1,0|1,0,0]=3 2476 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100000207611_200000210301 [0,1,0,0,1,0|1,1,0]=4 2477 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100102631434_100000746031 [0,1,0,0,1,0|1,1,0]=4 2478 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100000207611_200000210301 [0,1,0,0,1,0|1,1,0]=4 2479 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100102631434_100000746031 [0,1,0,0,1,0|1,1,0]=4 2480 B10R1.54 CN(C)Cc1cc(cs1)Br 270004a_100102631434_100000211722 [0,1,0,0,1,0|1,1,0]=4 2481 B10R1.54 CN(C)Cc1cc(cs1)Cl 270004a_100102631434_100000102487 [0,1,0,0,1,0|1,1,0]=4 2482 B10R1.54 CN(C)Cc1cc(no1)Br 269982a_100102631434_100000709089 [0,1,0,0,1,0|2,0,0]=4 2483 B10R1.54 CN(C)Cc1cc(no1)Br 270004a_100102631434_100009819588 [0,1,0,0,1,0|2,0,0]=4 2484 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,1,0,0,1,0|1,0,0]=3 2485 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,1,0,0,1,0|1,0,0]=3 2486 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,1,0,0,1,0|1,0,0]=3 2487 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,1,0,0,1,0|1,0,0]=3 2488 B10R1.54 CN(C)Cc1ccc(s1)Br 2230a_100102631434_100000708592 [0,1,0,0,1,0|1,1,0]=4 2489 B10R1.54 CN(C)Cc1ccc(s1)Br 269982a_100102631434_100000708592 [0,1,0,0,1,0|1,1,0]=4 2490 B10R1.54 CN(C)Cc1ccc(s1)Br 270004a_100102631434_100000179771 [0,1,0,0,1,0|1,1,0]=4 2491 B10R1.54 CN(C)Cc1ccc(s1)Cl 2230a_100102631434_100000185097 [0,1,0,0,1,0|1,1,0]=4 2492 B10R1.54 CN(C)Cc1ccc(s1)Cl 269982a_100102631434_100000185097 [0,1,0,0,1,0|1,1,0]=4 2493 B10R1.54 CN(C)Cc1ccc(s1)Cl 270004a_100102631434_100000242774 [0,1,0,0,1,0|1,1,0]=4 2494 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 2230a_100000207611_200025704644 [0,1,0,0,1,0|1,1,0]=4 2495 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 269982a_100000207611_200025704644 [0,1,0,0,1,0|1,1,0]=4 2496 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,1,0,0,1,0|1,0,0]=3 2497 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,1,0,0,1,0|1,0,0]=3 2498 B10R1.54 Cc1c[nH]c(n1)SC(C)C 62a_100000210206_100161115468 [0,1,0,0,1,0|2,0,0]=4 2499 B10R1.54 Cc1c[nH]c(n1)SC(C)C 62a_100161115468_100000210206 [0,1,0,0,1,0|2,0,0]=4 2500 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000210206_100000759034 [0,1,0,0,1,0|2,0,0]=4 2501 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000759034_100000210206 [0,1,0,0,1,0|2,0,0]=4 2502 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100000210206_100009819999 [0,1,0,0,1,0|2,0,0]=4 2503 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100009819999_100000210206 [0,1,0,0,1,0|2,0,0]=4 2504 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000210206_100000716708 [0,1,0,0,1,0|2,0,0]=4 2505 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000716708_100000210206 [0,1,0,0,1,0|2,0,0]=4 2506 B10R1.54 Cc1cc(on1)CN(C)C 2230a_100102631434_100000707947 [0,1,0,0,1,0|2,0,0]=4 2507 B10R1.54 Cc1cc(on1)CN(C)C 269982a_100102631434_100000707947 [0,1,0,0,1,0|2,0,0]=4 2508 B10R1.54 Cc1cc(on1)CN(C)C 270004a_100102631434_100011794430 [0,1,0,0,1,0|2,0,0]=4 2509 B10R1.54 Cc1cc(sn1)SC(C)C 62a_100000210206_100009815735 [0,1,0,0,1,0|1,1,0]=4 2510 B10R1.54 Cc1cc(sn1)SC(C)C 62a_100009815735_100000210206 [0,1,0,0,1,0|1,1,0]=4 2511 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,1,0,0,1,0|1,0,0]=3 2512 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,1,0,0,1,0|1,0,0]=3 2513 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,1,0,0,1,0|1,0,0]=3 2514 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,1,0,0,1,0|1,0,0]=3 2515 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,1,0,0,1,0|1,0,0]=3 2516 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,1,0,0,1,0|1,0,0]=3 2517 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,1,0,0,1,0|1,0,0]=3 2518 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,1,0,0,1,0|1,1,0]=4 2519 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,1,0,0,1,0|1,1,0]=4 2520 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,1,0,0,1,0|1,1,0]=4 2521 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,1,0,0,1,0|1,1,0]=4 2522 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,1,0,0,1,0|1,1,0]=4 2523 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,1,0,0,1,0|0,1,0]=3 2524 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,1,0,0,1,0|0,1,0]=3 2525 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000210206_100000690809 [0,1,0,0,1,0|1,1,0]=4 2526 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000690809_100000210206 [0,1,0,0,1,0|1,1,0]=4 2527 B10R1.54 Cc1csc(c1)CN(C)C 2230a_100011502060_200000210301 [0,1,0,0,1,0|1,1,0]=4 2528 B10R1.54 Cc1csc(c1)CN(C)C 269982a_100011502060_200000210301 [0,1,0,0,1,0|1,1,0]=4 2529 B10R1.54 Cc1csc(c1)CN(C)C 270004a_100102631434_100102525248 [0,1,0,0,1,0|1,1,0]=4 2530 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 2230a_100011502060_200025704644 [0,1,0,0,1,0|1,1,0]=4 2531 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 269982a_100011502060_200025704644 [0,1,0,0,1,0|1,1,0]=4 2532 B10R1.54 Cc1csc(c1)SC(C)C 62a_100000210206_100009876951 [0,1,0,0,1,0|0,1,0]=3 2533 B10R1.54 Cc1csc(c1)SC(C)C 62a_100009876951_100000210206 [0,1,0,0,1,0|0,1,0]=3 2534 B10R1.54 Cc1csc(n1)SC(C)C 62a_100000210206_100011291629 [0,1,0,0,1,0|1,1,0]=4 2535 B10R1.54 Cc1csc(n1)SC(C)C 62a_100011291629_100000210206 [0,1,0,0,1,0|1,1,0]=4 2536 B10R1.54 Cc1nc(c[nH]1)SC(C)C 62a_100000210206_100009814057 [0,1,0,0,1,0|2,0,0]=4 2537 B10R1.54 Cc1nc(c[nH]1)SC(C)C 62a_100009814057_100000210206 [0,1,0,0,1,0|2,0,0]=4 2538 B10R1.54 Cc1nc(cs1)SC(C)C 62a_100000210206_100011934587 [0,1,0,0,1,0|2,0,0]=4 2539 B10R1.54 Cc1nc(cs1)SC(C)C 62a_100011934587_100000210206 [0,1,0,0,1,0|2,0,0]=4 2540 B10R1.54 Cc1ncc(o1)CN(C)C 270004a_100102631434_100000084308 [0,1,0,0,1,0|2,0,0]=4 2541 B10R1.54 Cc1ncc(s1)SC(C)C 62a_100000210206_100000764884 [0,1,0,0,1,0|1,1,0]=4 2542 B10R1.54 Cc1ncc(s1)SC(C)C 62a_100000764884_100000210206 [0,1,0,0,1,0|1,1,0]=4 2543 B10R1.54 Cc1nnc(o1)SC(C)C 62a_100000210206_100000708914 [0,1,0,0,1,0|2,0,0]=4 2544 B10R1.54 Cc1noc(n1)CC(C)C 270196a_100000212224_100000210554 [0,1,0,0,1,0|2,0,0]=4 2545 B10R1.64 CC(C)Sc1[nH]cnc1Cl 62a_100000210206_100010200774 [0,1,0,0,1,0|2,0,0]=4 2546 B10R1.64 CC(C)Sc1[nH]cnc1Cl 62a_100010200774_100000210206 [0,1,0,0,1,0|2,0,0]=4 2547 B10R1.64 CC(C)Sc1ccnn1C 62a_100000210206_100000688441 [0,1,0,0,1,0|2,0,0]=4 2548 B10R1.64 CC(C)Sc1ccnn1C 62a_100000688441_100000210206 [0,1,0,0,1,0|2,0,0]=4 2549 B10R1.64 CC(C)Sc1cncn1C 62a_100000210206_100009814087 [0,1,0,0,1,0|2,0,0]=4 2550 B10R1.64 CC(C)Sc1cncn1C 62a_100009814087_100000210206 [0,1,0,0,1,0|2,0,0]=4 2551 B10R1.64 CC(C)Sc1cscc1Br 62a_100000210206_100010143727 [0,1,0,0,1,0|2,0,0]=4 2552 B10R1.64 CC(C)Sc1cscc1Br 62a_100010143727_100000210206 [0,1,0,0,1,0|2,0,0]=4 2553 B10R1.64 CC(C)Sc1n[nH]cc1Br 62a_100000210206_100015839836 [0,1,0,0,1,0|2,0,0]=4 2554 B10R1.64 CC(C)Sc1n[nH]cc1Br 62a_100015839836_100000210206 [0,1,0,0,1,0|2,0,0]=4 2555 B10R1.64 CC(C)Sc1n[nH]cc1N 62a_100000210206_100010894806 [0,1,0,0,1,0|2,0,0]=4 2556 B10R1.64 CC(C)Sc1n[nH]cc1N 62a_100010894806_100000210206 [0,1,0,0,1,0|2,0,0]=4 2557 B10R1.64 CC(C)Sc1nccn1C 62a_100000210206_100000707724 [0,1,0,0,1,0|2,0,0]=4 2558 B10R1.64 CC(C)Sc1nccn1C 62a_100000707724_100000210206 [0,1,0,0,1,0|2,0,0]=4 2559 B10R1.64 CC(C)Sc1sccc1Br 62a_100000210206_100012361411 [0,1,0,0,1,0|0,1,0]=3 2560 B10R1.64 CC(C)Sc1sccc1Br 62a_100012361411_100000210206 [0,1,0,0,1,0|0,1,0]=3 2561 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,1,0,0,1,0|2,0,0]=4 2562 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,1,0,0,1,0|2,0,0]=4 2563 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,1,0,0,1,0|2,0,0]=4 2564 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,1,0,0,1,0|1,0,0]=3 2565 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,1,0,0,1,0|1,1,0]=4 2566 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,1,0,0,1,0|1,1,0]=4 2567 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,1,0,0,1,0|1,1,0]=4 2568 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,1,0,0,1,0|1,1,0]=4 2569 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,1,0,0,1,0|2,0,0]=4 2570 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,1,0,0,1,0|2,0,0]=4 2571 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,1,0,0,1,0|1,1,0]=4 2572 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,1,0,0,1,0|1,1,0]=4 2573 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100000210206_100010186451 [0,1,0,0,1,0|2,0,0]=4 2574 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100010186451_100000210206 [0,1,0,0,1,0|2,0,0]=4 2575 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100000210206_100009871783 [0,1,0,0,1,0|2,0,0]=4 2576 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100009871783_100000210206 [0,1,0,0,1,0|2,0,0]=4 2577 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,1,0,0,1,0|1,0,0]=3 2578 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,1,0,0,1,0|1,0,0]=3 2579 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,1,0,0,1,0|1,0,0]=3 2580 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,1,0,0,1,0|1,0,0]=3 2581 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,1,0,0,1,0|1,0,0]=3 2582 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,1,0,0,1,0|1,1,0]=4 2583 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,1,0,0,1,0|1,1,0]=4 2584 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,1,0,0,1,0|1,1,0]=4 2585 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,1,0,0,1,0|1,1,0]=4 2586 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,1,0,0,1,0|1,1,0]=4 2587 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,1,0,0,1,0|0,1,0]=3 2588 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,1,0,0,1,0|0,1,0]=3 2589 B10R1.64 Cc1cscc1SC(C)C 62a_100000210206_100000759966 [0,1,0,0,1,0|2,0,0]=4 2590 B10R1.64 Cc1cscc1SC(C)C 62a_100000759966_100000210206 [0,1,0,0,1,0|2,0,0]=4 2591 B10R1.64 Cc1ncsc1SC(C)C 62a_100000210206_100009817116 [0,1,0,0,1,0|1,1,0]=4 2592 B10R1.64 Cc1ncsc1SC(C)C 62a_100009817116_100000210206 [0,1,0,0,1,0|1,1,0]=4 2593 B10R1.64 Cc1sccc1SC(C)C 62a_100000210206_100000684487 [0,1,0,0,1,0|2,0,0]=4 2594 B10R1.64 Cc1sccc1SC(C)C 62a_100000684487_100000210206 [0,1,0,0,1,0|2,0,0]=4 2595 B10R1.64 Cc1scnc1SC(C)C 62a_100000210206_100000732656 [0,1,0,0,1,0|2,0,0]=4 2596 B10R1.64 Cc1scnc1SC(C)C 62a_100000732656_100000210206 [0,1,0,0,1,0|2,0,0]=4 2597 B10R1.281 CC(C)(C)Sc1c[nH]cn1 62a_100000211941_100000756875 [0,1,0,0,1,0|2,0,0]=4 2598 B10R1.281 CC(C)(C)Sc1c[nH]cn1 62a_100000756875_100000211941 [0,1,0,0,1,0|2,0,0]=4 2599 B10R1.281 CC(C)(C)Sc1cc[nH]n1 62a_100000062575_100000211941 [0,1,0,0,1,0|2,0,0]=4 2600 B10R1.281 CC(C)(C)Sc1cc[nH]n1 62a_100000211941_100000062575 [0,1,0,0,1,0|2,0,0]=4 2601 B10R1.281 CC(C)(C)Sc1ccco1 62a_100000211941_100009814098 [0,1,0,0,1,0|0,0,0]=2 2602 B10R1.281 CC(C)(C)Sc1ccco1 62a_100009814098_100000211941 [0,1,0,0,1,0|0,0,0]=2 2603 B10R1.281 CC(C)(C)Sc1cccs1 62a_100000211941_100011215356 [0,1,0,0,1,0|0,1,0]=3 2604 B10R1.281 CC(C)(C)Sc1cccs1 62a_100011215356_100000211941 [0,1,0,0,1,0|0,1,0]=3 2605 B10R1.281 CC(C)(C)Sc1ccoc1 62a_100000211941_100011215275 [0,1,0,0,1,0|2,0,0]=4 2606 B10R1.281 CC(C)(C)Sc1ccoc1 62a_100011215275_100000211941 [0,1,0,0,1,0|2,0,0]=4 2607 B10R1.281 CC(C)(C)Sc1ccon1 62a_100000211941_100009818083 [0,1,0,0,1,0|2,0,0]=4 2608 B10R1.281 CC(C)(C)Sc1ccon1 62a_100009818083_100000211941 [0,1,0,0,1,0|2,0,0]=4 2609 B10R1.281 CC(C)(C)Sc1ccsc1 62a_100000211941_100000738268 [0,1,0,0,1,0|2,0,0]=4 2610 B10R1.281 CC(C)(C)Sc1ccsc1 62a_100000738268_100000211941 [0,1,0,0,1,0|2,0,0]=4 2611 B10R1.281 CC(C)(C)Sc1ccsn1 62a_100000211941_100009818082 [0,1,0,0,1,0|2,0,0]=4 2612 B10R1.281 CC(C)(C)Sc1ccsn1 62a_100009818082_100000211941 [0,1,0,0,1,0|2,0,0]=4 2613 B10R1.281 CC(C)(C)Sc1cnco1 62a_100000211941_100020591547 [0,1,0,0,1,0|1,0,0]=3 2614 B10R1.281 CC(C)(C)Sc1cnco1 62a_100020591547_100000211941 [0,1,0,0,1,0|1,0,0]=3 2615 B10R1.281 CC(C)(C)Sc1cncs1 62a_100000211941_100011934649 [0,1,0,0,1,0|1,1,0]=4 2616 B10R1.281 CC(C)(C)Sc1cncs1 62a_100011934649_100000211941 [0,1,0,0,1,0|1,1,0]=4 2617 B10R1.281 CC(C)(C)Sc1cscn1 62a_100000211941_100000751502 [0,1,0,0,1,0|2,0,0]=4 2618 B10R1.281 CC(C)(C)Sc1cscn1 62a_100000751502_100000211941 [0,1,0,0,1,0|2,0,0]=4 2619 B10R1.281 CC(C)(C)Sc1ncc[nH]1 62a_100000211941_100025796157 [0,1,0,0,1,0|2,0,0]=4 2620 B10R1.281 CC(C)(C)Sc1ncc[nH]1 62a_100025796157_100000211941 [0,1,0,0,1,0|2,0,0]=4 2621 B10R1.281 CC(C)(C)Sc1ncco1 62a_100000211941_100011787736 [0,1,0,0,1,0|1,0,0]=3 2622 B10R1.281 CC(C)(C)Sc1ncco1 62a_100011787736_100000211941 [0,1,0,0,1,0|1,0,0]=3 2623 B10R1.281 CC(C)(C)Sc1nccs1 62a_100000211941_100000211983 [0,1,0,0,1,0|1,1,0]=4 2624 B10R1.281 CC(C)(C)Sc1nccs1 62a_100000211983_100000211941 [0,1,0,0,1,0|1,1,0]=4 2625 B10R1.281 FC(F)(F)Sc1ccco1 62a_100009814098_200103152311 [0,1,0,0,1,0|2,0,0]=4 2626 B10R1.281 FC(F)(F)Sc1ccco1 62a_200000243211_100009814098 [0,1,0,0,1,0|2,0,0]=4 2627 B12R1.21 CC(C)NCc1ccc(=O)[nH]n1 207a_100138425928_100011361533 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.21 CC(C)NCc1ccc(cc1)Br 207a_100138425928_100000186029 [0,1,0,0,0,1|2,0,0]=4 2629 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000210206 [0,1,0,0,0,1|2,0,0]=4 2630 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100138425928_100011217064 [0,1,0,0,0,1|2,0,0]=4 2631 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100000174875_100000210206 [0,1,0,0,0,1|2,0,0]=4 2632 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100138425928_100000189115 [0,1,0,0,0,1|2,0,0]=4 2633 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [0,1,0,0,0,1|2,0,0]=4 2634 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [0,1,0,0,0,1|2,0,0]=4 2635 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [0,1,0,0,0,1|2,0,0]=4 2636 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [0,1,0,0,0,1|2,0,0]=4 2637 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [0,1,0,0,0,1|2,0,0]=4 2638 B12R1.21 CC(C)NCc1ccc(cc1)F 207a_100138425928_100000210084 [0,1,0,0,0,1|2,0,0]=4 2639 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100000174882_100000210206 [0,1,0,0,0,1|2,0,0]=4 2640 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100138425928_100000198546 [0,1,0,0,0,1|2,0,0]=4 2641 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100000174882_100000210206 [0,1,0,0,0,1|2,0,0]=4 2642 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100138425928_100000198546 [0,1,0,0,0,1|2,0,0]=4 2643 B12R1.21 CC(C)NCc1ccc(cc1)I 207a_100138425928_100000188517 [0,1,0,0,0,1|2,0,0]=4 2644 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100016989417_100000210206 [0,1,0,0,0,1|2,0,0]=4 2645 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100138425928_100000189116 [0,1,0,0,0,1|2,0,0]=4 2646 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100016989417_100000210206 [0,1,0,0,0,1|2,0,0]=4 2647 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100138425928_100000189116 [0,1,0,0,0,1|2,0,0]=4 2648 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,1,0,0,0,1|2,0,0]=4 2649 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,1,0,0,0,1|2,0,0]=4 2650 B12R1.21 CC(C)NCc1ccc(cn1)Br 207a_100138425928_100000754260 [0,1,0,0,0,1|2,0,0]=4 2651 B12R1.21 CC(C)NCc1ccc(cn1)Br 2230a_100138425928_100000702658 [0,1,0,0,0,1|2,0,0]=4 2652 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100015188789_100000210206 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100138425928_100000702658 [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.21 CC(C)NCc1ccc(cn1)Cl 207a_100138425928_100011361569 [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.21 CC(C)NCc1ccc(cn1)Cl 2230a_100138425928_100012066911 [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100000697193_100000210206 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100138425928_100012066911 [0,1,0,0,0,1|2,0,0]=4 2658 B12R1.21 CC(C)NCc1ccc(cn1)F 207a_100138425928_100011934744 [0,1,0,0,0,1|2,0,0]=4 2659 B12R1.21 CC(C)NCc1ccc(cn1)F 2230a_100138425928_100000703193 [0,1,0,0,0,1|2,0,0]=4 2660 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100020620131_100000210206 [0,1,0,0,0,1|2,0,0]=4 2661 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100138425928_100000703193 [0,1,0,0,0,1|2,0,0]=4 2662 B12R1.21 CC(C)NCc1ccc(nc1)Br 2230a_100009817727_100000210206 [0,1,0,0,0,1|2,0,0]=4 2663 B12R1.21 CC(C)NCc1ccc(nc1)Br 2230a_100138425928_100009831999 [0,1,0,0,0,1|2,0,0]=4 2664 B12R1.21 CC(C)NCc1ccc(nc1)Br 34a_100009817727_100000210206 [0,1,0,0,0,1|2,0,0]=4 2665 B12R1.21 CC(C)NCc1ccc(nc1)Br 34a_100138425928_100009831999 [0,1,0,0,0,1|2,0,0]=4 2666 B12R1.21 CC(C)NCc1ccc(nc1)Cl 2230a_100000735879_100000210206 [0,1,0,0,0,1|2,0,0]=4 2667 B12R1.21 CC(C)NCc1ccc(nc1)Cl 2230a_100138425928_100000735431 [0,1,0,0,0,1|2,0,0]=4 2668 B12R1.21 CC(C)NCc1ccc(nc1)Cl 34a_100000735879_100000210206 [0,1,0,0,0,1|2,0,0]=4 2669 B12R1.21 CC(C)NCc1ccc(nc1)Cl 34a_100138425928_100000735431 [0,1,0,0,0,1|2,0,0]=4 2670 B12R1.21 CC(C)NCc1ccc(nc1)F 2230a_100000101913_100000210206 [0,1,0,0,0,1|2,0,0]=4 2671 B12R1.21 CC(C)NCc1ccc(nc1)F 2230a_100138425928_100009820150 [0,1,0,0,0,1|2,0,0]=4 2672 B12R1.21 CC(C)NCc1ccc(nc1)F 34a_100000101913_100000210206 [0,1,0,0,0,1|2,0,0]=4 2673 B12R1.21 CC(C)NCc1ccc(nc1)F 34a_100138425928_100000099788 [0,1,0,0,0,1|2,0,0]=4 2674 B12R1.21 CC(C)NCc1ccc(nc1)O 207a_100138425928_100011361521 [0,1,0,0,0,1|2,0,0]=4 2675 B12R1.21 CC(C)NCc1ccc(nc1)O 2230a_100000757128_100000210206 [0,1,0,0,0,1|2,0,0]=4 2676 B12R1.21 CC(C)NCc1ccc(nc1)O 271570a_203496583355_100016992178 [0,1,0,0,0,1|2,0,0]=4 2677 B12R1.21 CC(C)NCc1ccc(nn1)Cl 2230a_100138425928_100016992710 [0,1,0,0,0,1|2,0,0]=4 2678 B12R1.21 CC(C)NCc1ccc(nn1)Cl 34a_100138425928_100016992710 [0,1,0,0,0,1|2,0,0]=4 2679 B12R1.21 CC(C)NCc1ncc(cn1)Br 34a_100138425928_100010064664 [0,1,0,0,0,1|2,0,0]=4 2680 B12R1.21 CC(C)OCc1cc[n+](cc1)C 34a_100009831711_100000210206 [0,1,0,0,0,1|1,1,0]=4 2681 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] 34a_100000031831_100000210206 [0,1,0,0,0,1|1,1,0]=4 2682 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_100000210206 [0,1,0,0,0,1|1,1,0]=4 2683 B12R1.21 CC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100000210206 [0,1,0,0,0,1|1,1,0]=4 2684 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [0,1,0,0,0,1|1,1,0]=4 2685 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [0,1,0,0,0,1|1,1,0]=4 2686 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [0,1,0,0,0,1|1,1,0]=4 2687 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [0,1,0,0,0,1|1,1,0]=4 2688 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [0,1,0,0,0,1|1,1,0]=4 2689 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [0,1,0,0,0,1|1,1,0]=4 2690 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [0,1,0,0,0,1|1,1,0]=4 2691 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [0,1,0,0,0,1|1,1,0]=4 2692 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [0,1,0,0,0,1|1,1,0]=4 2693 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [0,1,0,0,0,1|1,1,0]=4 2694 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [0,1,0,0,0,1|1,1,0]=4 2695 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [0,1,0,0,0,1|1,1,0]=4 2696 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,1,0,0,0,1|1,1,0]=4 2697 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000212225_100000702658 [0,1,0,0,0,1|1,1,0]=4 2698 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000754261_100000210206 [0,1,0,0,0,1|1,1,0]=4 2699 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000212225_100012066911 [0,1,0,0,0,1|1,1,0]=4 2700 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000703999_100000210206 [0,1,0,0,0,1|1,1,0]=4 2701 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100000212225_100000703193 [0,1,0,0,0,1|1,1,0]=4 2702 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100011999454_100000210206 [0,1,0,0,0,1|1,1,0]=4 2703 B12R1.21 CC(C)OCc1ccc(cn1)N 34a_100011998161_100000210206 [0,1,0,0,0,1|1,1,0]=4 2704 B12R1.21 CC(C)OCc1ccc(nc1)Br 34a_100000212225_100009831999 [0,1,0,0,0,1|1,1,0]=4 2705 B12R1.21 CC(C)OCc1ccc(nc1)Br 34a_100009816760_100000210206 [0,1,0,0,0,1|1,1,0]=4 2706 B12R1.21 CC(C)OCc1ccc(nc1)Br 7a_100009816760_100000210206 [0,1,0,0,0,1|1,1,0]=4 2707 B12R1.21 CC(C)OCc1ccc(nc1)Cl 34a_100000212225_100000735431 [0,1,0,0,0,1|1,1,0]=4 2708 B12R1.21 CC(C)OCc1ccc(nc1)Cl 34a_100000755211_100000210206 [0,1,0,0,0,1|1,1,0]=4 2709 B12R1.21 CC(C)OCc1ccc(nc1)Cl 7a_100000755211_100000210206 [0,1,0,0,0,1|1,1,0]=4 2710 B12R1.21 CC(C)OCc1ccc(nc1)F 34a_100000079959_100000210206 [0,1,0,0,0,1|1,1,0]=4 2711 B12R1.21 CC(C)OCc1ccc(nc1)F 34a_100000212225_100000099788 [0,1,0,0,0,1|1,1,0]=4 2712 B12R1.21 CC(C)OCc1ccc(nc1)N 34a_100000704267_100000210206 [0,1,0,0,0,1|1,1,0]=4 2713 B12R1.21 CC(C)OCc1ccc(nn1)Cl 34a_100000212225_100016992710 [0,1,0,0,0,1|1,1,0]=4 2714 B12R1.21 CC(C)OCc1cnc(cn1)Cl 34a_100012002382_100000210206 [0,1,0,0,0,1|1,1,0]=4 2715 B12R1.21 CC(C)OCc1ncc(cn1)Br 34a_100000212225_100010064664 [0,1,0,0,0,1|1,1,0]=4 2716 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000189115_100000210206 [0,1,0,0,0,1|1,0,0]=3 2717 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000210206_100000189115 [0,1,0,0,0,1|1,0,0]=3 2718 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [0,1,0,0,0,1|1,0,0]=3 2719 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [0,1,0,0,0,1|1,0,0]=3 2720 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000198546_100000210206 [0,1,0,0,0,1|1,0,0]=3 2721 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000210206_100000187164 [0,1,0,0,0,1|1,0,0]=3 2722 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000189116_100000210206 [0,1,0,0,0,1|1,0,0]=3 2723 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000210206_100000189116 [0,1,0,0,0,1|1,0,0]=3 2724 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [0,1,0,0,0,1|1,0,0]=3 2725 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000210206_100000702658 [0,1,0,0,0,1|1,0,0]=3 2726 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000702658_100000210206 [0,1,0,0,0,1|1,0,0]=3 2727 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100000210206_100000697101 [0,1,0,0,0,1|1,0,0]=3 2728 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100012066911_100000210206 [0,1,0,0,0,1|1,0,0]=3 2729 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000210206_100000703193 [0,1,0,0,0,1|1,0,0]=3 2730 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000703193_100000210206 [0,1,0,0,0,1|1,0,0]=3 2731 B12R1.21 CC(C)SCc1ccc(nc1)Br 62a_100000210206_100009831999 [0,1,0,0,0,1|1,0,0]=3 2732 B12R1.21 CC(C)SCc1ccc(nc1)Br 62a_100009831999_100000210206 [0,1,0,0,0,1|1,0,0]=3 2733 B12R1.21 CC(C)SCc1ccc(nc1)Cl 62a_100000210206_100000735431 [0,1,0,0,0,1|1,0,0]=3 2734 B12R1.21 CC(C)SCc1ccc(nc1)Cl 62a_100000735431_100000210206 [0,1,0,0,0,1|1,0,0]=3 2735 B12R1.21 CC(C)SCc1ccc(nc1)F 62a_100000210206_100000099788 [0,1,0,0,0,1|1,0,0]=3 2736 B12R1.21 CC(C)SCc1ccc(nc1)F 62a_100009820150_100000210206 [0,1,0,0,0,1|1,0,0]=3 2737 B12R1.21 CC(C)SCc1ccc(nn1)Cl 62a_100000210206_100016992710 [0,1,0,0,0,1|1,0,0]=3 2738 B12R1.21 CC(C)SCc1ccc(nn1)Cl 62a_100016992710_100000210206 [0,1,0,0,0,1|1,0,0]=3 2739 B12R1.21 CC(C)SCc1ncc(cn1)Br 62a_100000210206_100010064664 [0,1,0,0,0,1|1,0,0]=3 2740 B12R1.21 CC(C)SCc1ncc(cn1)Br 62a_100010064664_100000210206 [0,1,0,0,0,1|1,0,0]=3 2741 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [0,1,0,0,0,1|2,0,0]=4 2742 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [0,1,0,0,0,1|2,0,0]=4 2743 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [0,1,0,0,0,1|2,0,0]=4 2744 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [0,1,0,0,0,1|2,0,0]=4 2745 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [0,1,0,0,0,1|2,0,0]=4 2746 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [0,1,0,0,0,1|1,1,0]=4 2747 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [0,1,0,0,0,1|1,1,0]=4 2748 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [0,1,0,0,0,1|1,1,0]=4 2749 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000210814 [0,1,0,0,0,1|1,0,0]=3 2750 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210814_100000210206 [0,1,0,0,0,1|1,0,0]=3 2751 B12R1.21 Cc1ccc(cn1)CNC(C)C 2230a_100138425928_100016987292 [0,1,0,0,0,1|2,0,0]=4 2752 B12R1.21 Cc1ccc(cn1)CNC(C)C 34a_100000740942_100000210206 [0,1,0,0,0,1|2,0,0]=4 2753 B12R1.21 Cc1ccc(cn1)CNC(C)C 34a_100138425928_100016987292 [0,1,0,0,0,1|2,0,0]=4 2754 B12R1.21 Cc1ccc(cn1)COC(C)C 34a_100000212225_100016987292 [0,1,0,0,0,1|1,1,0]=4 2755 B12R1.21 Cc1ccc(cn1)COC(C)C 34a_100011248133_100000210206 [0,1,0,0,0,1|1,1,0]=4 2756 B12R1.21 Cc1ccc(cn1)CSC(C)C 62a_100000210206_100016987292 [0,1,0,0,0,1|1,0,0]=3 2757 B12R1.21 Cc1ccc(cn1)CSC(C)C 62a_100016987292_100000210206 [0,1,0,0,0,1|1,0,0]=3 2758 B12R1.21 Cc1ccc(nc1)CNC(C)C 207a_100138425928_100000050478 [0,1,0,0,0,1|2,0,0]=4 2759 B12R1.21 Cc1ccc(nc1)CNC(C)C 2230a_100138425928_100000691093 [0,1,0,0,0,1|2,0,0]=4 2760 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100015187455_100000210206 [0,1,0,0,0,1|2,0,0]=4 2761 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100138425928_100000691093 [0,1,0,0,0,1|2,0,0]=4 2762 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100000212225_100000691093 [0,1,0,0,0,1|1,1,0]=4 2763 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100012001401_100000210206 [0,1,0,0,0,1|1,1,0]=4 2764 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000210206_100000691093 [0,1,0,0,0,1|1,0,0]=3 2765 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000691093_100000210206 [0,1,0,0,0,1|1,0,0]=3 2766 B12R1.21 Cc1cnc(cn1)CNC(C)C 2230a_100138425928_100000752025 [0,1,0,0,0,1|2,0,0]=4 2767 B12R1.21 Cc1cnc(cn1)CNC(C)C 34a_100132314150_100000210206 [0,1,0,0,0,1|2,0,0]=4 2768 B12R1.21 Cc1cnc(cn1)COC(C)C 34a_100011273949_100000210206 [0,1,0,0,0,1|1,1,0]=4 2769 B12R1.21 Cc1cnc(cn1)CSC(C)C 62a_100000210206_100000752025 [0,1,0,0,0,1|1,0,0]=3 2770 B12R1.21 Cc1cnc(cn1)CSC(C)C 62a_100000752025_100000210206 [0,1,0,0,0,1|1,0,0]=3 2771 B12R1.21 Cc1cnc(nc1)CNC(C)C 2230a_100138425928_100000685645 [0,1,0,0,0,1|2,0,0]=4 2772 B12R1.21 Cc1cnc(nc1)CNC(C)C 34a_100138425928_100000685645 [0,1,0,0,0,1|2,0,0]=4 2773 B12R1.21 Cc1cnc(nc1)COC(C)C 34a_100000212225_100000685645 [0,1,0,0,0,1|1,1,0]=4 2774 B12R1.21 Cc1cnc(nc1)CSC(C)C 62a_100000210206_100000685645 [0,1,0,0,0,1|1,0,0]=3 2775 B12R1.21 Cc1cnc(nc1)CSC(C)C 62a_100000685645_100000210206 [0,1,0,0,0,1|1,0,0]=3 2776 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,1,0,0,0,1|1,0,1]=4 2777 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,1,0,0,0,1|1,0,1]=4 2778 B12R1.27 C#CC(C)SCc1cccnc1 62a_200000035995_100000741622 [0,1,0,0,0,1|1,0,1]=4 2779 B12R1.27 C#CC(C)SCc1cccnn1 62a_200000035995_100016990269 [0,1,0,0,0,1|1,0,1]=4 2780 B12R1.27 C#CC(C)SCc1ccncc1 62a_200000035995_100015193705 [0,1,0,0,0,1|1,0,1]=4 2781 B12R1.27 C#CC(C)SCc1cnccn1 62a_200000035995_100016995436 [0,1,0,0,0,1|1,0,1]=4 2782 B12R1.27 C#CC(C)SCc1ncccn1 62a_200000035995_100000703007 [0,1,0,0,0,1|1,0,1]=4 2783 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,1,0,0,0,1|1,0,1]=4 2784 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,1,0,0,0,1|1,0,1]=4 2785 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,1,0,0,0,1|1,0,1]=4 2786 B12R1.27 C=CC(C)SCc1cccnn1 62a_100011215867_100016990269 [0,1,0,0,0,1|1,0,1]=4 2787 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,1,0,0,0,1|1,0,1]=4 2788 B12R1.27 C=CC(C)SCc1cnccn1 62a_100011215867_100016995436 [0,1,0,0,0,1|1,0,1]=4 2789 B12R1.27 C=CC(C)SCc1ncccn1 62a_100011215867_100000703007 [0,1,0,0,0,1|1,0,1]=4 2790 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,1,0,0,0,1|1,0,1]=4 2791 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,1,0,0,0,1|1,0,1]=4 2792 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,1,0,0,0,1|1,0,1]=4 2793 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,1,0,0,0,1|1,0,1]=4 2794 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000703298_100000741622 [0,1,0,0,0,1|1,0,1]=4 2795 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000741622_100000703298 [0,1,0,0,0,1|1,0,1]=4 2796 B12R1.27 CC(C#N)SCc1cccnn1 62a_100000703298_100016990269 [0,1,0,0,0,1|1,0,1]=4 2797 B12R1.27 CC(C#N)SCc1cccnn1 62a_100016990269_100000703298 [0,1,0,0,0,1|1,0,1]=4 2798 B12R1.27 CC(C#N)SCc1ccncc1 62a_100000703298_100015193705 [0,1,0,0,0,1|1,0,1]=4 2799 B12R1.27 CC(C#N)SCc1ccncc1 62a_100015193705_100000703298 [0,1,0,0,0,1|1,0,1]=4 2800 B12R1.27 CC(C#N)SCc1cnccn1 62a_100000703298_100016995436 [0,1,0,0,0,1|1,0,1]=4 2801 B12R1.27 CC(C#N)SCc1cnccn1 62a_100016995436_100000703298 [0,1,0,0,0,1|1,0,1]=4 2802 B12R1.27 CC(C#N)SCc1ncccn1 62a_100000703007_100000703298 [0,1,0,0,0,1|1,0,1]=4 2803 B12R1.27 CC(C#N)SCc1ncccn1 62a_100000703298_100000703007 [0,1,0,0,0,1|1,0,1]=4 2804 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,0,0,1|2,0,0]=4 2805 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,0,0,1|2,0,0]=4 2806 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,1,0,0,0,1|1,1,0]=4 2807 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,1,0,0,0,1|1,1,0]=4 2808 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,1,0,0,0,1|1,1,0]=4 2809 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,1,0,0,0,1|1,1,0]=4 2810 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,1,0,0,0,1|1,1,0]=4 2811 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,1,0,0,0,1|1,1,0]=4 2812 B12R1.27 CC(CF)OCc1cccnn1 34a_100016041109_100016990269 [0,1,0,0,0,1|1,1,0]=4 2813 B12R1.27 CC(CF)OCc1cccnn1 7a_100016041109_100016990269 [0,1,0,0,0,1|1,1,0]=4 2814 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,1,0,0,0,1|1,1,0]=4 2815 B12R1.27 CC(CF)OCc1cnccn1 34a_100016041109_100016995436 [0,1,0,0,0,1|1,1,0]=4 2816 B12R1.27 CC(CF)OCc1cnccn1 7a_100016041109_100016995436 [0,1,0,0,0,1|1,1,0]=4 2817 B12R1.27 CC(CF)OCc1ncccn1 34a_100016041109_100000703007 [0,1,0,0,0,1|1,1,0]=4 2818 B12R1.27 CC(CF)OCc1ncccn1 7a_100016041109_100000703007 [0,1,0,0,0,1|1,1,0]=4 2819 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,1|1,1,0]=4 2820 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,1|1,1,0]=4 2821 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,1|1,1,0]=4 2822 B12R1.27 CC(CN)OCc1cccnn1 34a_100000210904_100016990269 [0,1,0,0,0,1|1,1,0]=4 2823 B12R1.27 CC(CN)OCc1cnccn1 34a_100000210904_100016995436 [0,1,0,0,0,1|1,1,0]=4 2824 B12R1.27 CC(CN)OCc1ncccn1 34a_100000210904_100000703007 [0,1,0,0,0,1|1,1,0]=4 2825 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,0,0,0,1|2,0,0]=4 2826 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,0,0,0,1|2,0,0]=4 2827 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,1,0,0,0,1|2,0,0]=4 2828 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,1|1,1,0]=4 2829 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,1|1,1,0]=4 2830 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,1,0,0,0,1|1,0,0]=3 2831 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,1,0,0,0,1|1,0,0]=3 2832 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,1,0,0,0,1|1,0,0]=3 2833 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,1,0,0,0,1|1,0,0]=3 2834 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,1,0,0,0,1|1,0,0]=3 2835 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,1,0,0,0,1|1,0,0]=3 2836 B12R1.27 CC(CO)SCc1cncnc1 62a_100012180447_100015196519 [0,1,0,0,0,1|2,0,0]=4 2837 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,1,0,0,0,1|1,0,0]=3 2838 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,0,0,1|2,0,0]=4 2839 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,0,0,1|2,0,0]=4 2840 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,0,0,1|2,0,0]=4 2841 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,0,0,1|2,0,0]=4 2842 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,0,0,1|2,0,0]=4 2843 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,0,0,1|2,0,0]=4 2844 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,0,0,1|2,0,0]=4 2845 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,0,0,1|2,0,0]=4 2846 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,0,0,0,1|2,0,0]=4 2847 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,0,0,0,1|2,0,0]=4 2848 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,0,0,0,1|2,0,0]=4 2849 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,1,0,0,0,1|2,0,0]=4 2850 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,1,0,0,0,1|2,0,0]=4 2851 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,0,0,0,1|2,0,0]=4 2852 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,0,0,0,1|2,0,0]=4 2853 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,1,0,0,0,1|2,0,0]=4 2854 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,1,0,0,0,1|2,0,0]=4 2855 B12R1.27 CCC(C)NCc1ncccn1 2230a_100000209981_100000703007 [0,1,0,0,0,1|2,0,0]=4 2856 B12R1.27 CCC(C)NCc1ncccn1 270004a_100000209981_100011532527 [0,1,0,0,0,1|2,0,0]=4 2857 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,1|1,1,0]=4 2858 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,1|1,1,0]=4 2859 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,1|1,1,0]=4 2860 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,0,0,1|1,1,0]=4 2861 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,0,0,0,1|1,1,0]=4 2862 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,1,0,0,0,1|1,1,0]=4 2863 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,1,0,0,0,1|1,1,0]=4 2864 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,1,0,0,0,1|1,1,0]=4 2865 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,1,0,0,0,1|1,1,0]=4 2866 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,0,0,1|1,0,0]=3 2867 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,0,0,1|1,0,0]=3 2868 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,0,0,1|1,0,0]=3 2869 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,0,0,1|1,0,0]=3 2870 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,0,0,0,1|1,0,0]=3 2871 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,0,0,0,1|1,0,0]=3 2872 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,1,0,0,0,1|1,0,0]=3 2873 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,1,0,0,0,1|1,0,0]=3 2874 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,1,0,0,0,1|1,0,0]=3 2875 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,1,0,0,0,1|1,0,0]=3 2876 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,1,0,0,0,1|1,0,0]=3 2877 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,1,0,0,0,1|1,0,0]=3 2878 B12R1.27 CCC(C)SCc1cncnc1 62a_100000758301_100015196519 [0,1,0,0,0,1|2,0,0]=4 2879 B12R1.27 CCC(C)SCc1cncnc1 62a_100015196519_100000758301 [0,1,0,0,0,1|2,0,0]=4 2880 B12R1.27 CCC(C)SCc1ncccn1 62a_100000703007_100000758301 [0,1,0,0,0,1|1,0,0]=3 2881 B12R1.27 CCC(C)SCc1ncccn1 62a_100000758301_100000703007 [0,1,0,0,0,1|1,0,0]=3 2882 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,0,0,1|2,0,0]=4 2883 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,0,0,1|2,0,0]=4 2884 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,0,0,1|2,0,0]=4 2885 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,1,0,0,0,1|1,0,0]=3 2886 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,1,0,0,0,1|1,0,0]=3 2887 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,1,0,0,0,1|1,0,0]=3 2888 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,1,0,0,0,1|1,0,0]=3 2889 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,1,0,0,0,1|1,0,0]=3 2890 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,1,0,0,0,1|1,0,0]=3 2891 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [0,1,0,0,0,1|1,0,0]=3 2892 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [0,1,0,0,0,1|1,0,0]=3 2893 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,1,0,0,0,1|1,0,0]=3 2894 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,1,0,0,0,1|1,0,0]=3 2895 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [0,1,0,0,0,1|1,0,0]=3 2896 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [0,1,0,0,0,1|1,0,0]=3 2897 B12R1.27 COC(C)SCc1cncnc1 62a_100009879195_100015196519 [0,1,0,0,0,1|2,0,0]=4 2898 B12R1.27 COC(C)SCc1cncnc1 62a_100015196519_100009879195 [0,1,0,0,0,1|2,0,0]=4 2899 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [0,1,0,0,0,1|1,0,0]=3 2900 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [0,1,0,0,0,1|1,0,0]=3 2901 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,1|2,0,0]=4 2902 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,1|2,0,0]=4 2903 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,1|2,0,0]=4 2904 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,1|2,0,0]=4 2905 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,1,0,0,0,1|2,0,0]=4 2906 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,1,0,0,0,1|2,0,0]=4 2907 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,1,0,0,0,1|2,0,0]=4 2908 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,1,0,0,0,1|2,0,0]=4 2909 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,1,0,0,0,1|2,0,0]=4 2910 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,1,0,0,0,1|2,0,0]=4 2911 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,1,0,0,0,1|2,0,0]=4 2912 B12R1.27 C[C@H](CF)NCc1cnccn1 270004a_100102880703_100000749867 [0,1,0,0,0,1|2,0,0]=4 2913 B12R1.27 C[C@H](CF)NCc1ncccn1 270004a_100102880703_100011532527 [0,1,0,0,0,1|2,0,0]=4 2914 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,0,0,0,1|2,0,0]=4 2915 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,0,0,0,1|2,0,0]=4 2916 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,0,0,0,1|2,0,0]=4 2917 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,1,0,0,0,1|2,0,0]=4 2918 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,1,0,0,0,1|2,0,0]=4 2919 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,1,0,0,0,1|2,0,0]=4 2920 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,1,0,0,0,1|2,0,0]=4 2921 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,1,0,0,0,1|2,0,0]=4 2922 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,1,0,0,0,1|2,0,0]=4 2923 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,1,0,0,0,1|2,0,0]=4 2924 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,1,0,0,0,1|2,0,0]=4 2925 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,1,0,0,0,1|2,0,0]=4 2926 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,1,0,0,0,1|2,0,0]=4 2927 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,1,0,0,0,1|2,0,0]=4 2928 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,1,0,0,0,1|2,0,0]=4 2929 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,1,0,0,0,1|2,0,0]=4 2930 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,1,0,0,0,1|1,0,0]=3 2931 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,1,0,0,0,1|1,0,0]=3 2932 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,1,0,0,0,1|1,0,0]=3 2933 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,1,0,0,0,1|1,0,0]=3 2934 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,1,0,0,0,1|1,0,0]=3 2935 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,1,0,0,0,1|1,0,0]=3 2936 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,1,0,0,0,1|1,0,0]=3 2937 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,1,0,0,0,1|1,0,0]=3 2938 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,1,0,0,0,1|1,0,0]=3 2939 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,1,0,0,0,1|1,0,0]=3 2940 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,1,0,0,0,1|1,0,0]=3 2941 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,1,0,0,0,1|1,0,0]=3 2942 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100015196519_100016084084 [0,1,0,0,0,1|2,0,0]=4 2943 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100016084084_100015196519 [0,1,0,0,0,1|2,0,0]=4 2944 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,1,0,0,0,1|1,0,0]=3 2945 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,1,0,0,0,1|1,0,0]=3 2946 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,1|2,0,0]=4 2947 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,1,0,0,0,1|2,0,0]=4 2948 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,1,0,0,0,1|2,0,0]=4 2949 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,1|2,0,0]=4 2950 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,1|2,0,0]=4 2951 B12R1.43 CC(C)C(=O)Cc1cccnn1 1458a_100000210198_100016990269 [0,1,0,0,0,1|2,0,0]=4 2952 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,1,0,0,0,1|2,0,0]=4 2953 B12R1.43 CC(C)C(=O)Cc1cnccn1 1458a_100000210198_100016995436 [0,1,0,0,0,1|2,0,0]=4 2954 B12R1.43 CC(C)C(=O)Cc1ncccn1 1458a_100000210198_100000703007 [0,1,0,0,0,1|2,0,0]=4 2955 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,1,0,0,0,1|2,0,0]=4 2956 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,1,0,0,0,1|2,0,0]=4 2957 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,1,0,0,0,1|2,0,0]=4 2958 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,1,0,0,0,1|2,0,0]=4 2959 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,1,0,0,0,1|2,0,0]=4 2960 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,1,0,0,0,1|2,0,0]=4 2961 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000200191_200000210301 [0,1,0,0,0,1|2,0,0]=4 2962 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000207498_100000210206 [0,1,0,0,0,1|2,0,0]=4 2963 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000200191_200000210301 [0,1,0,0,0,1|2,0,0]=4 2964 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000207498_100000210206 [0,1,0,0,0,1|2,0,0]=4 2965 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_200000211004_100000721315 [0,1,0,0,0,1|2,0,0]=4 2966 B12R1.43 CC(C)N(C)Cc1ccccn1 270004a_200000211004_100000209966 [0,1,0,0,0,1|2,0,0]=4 2967 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000184577_100000210206 [0,1,0,0,0,1|2,0,0]=4 2968 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000200193_200000210301 [0,1,0,0,0,1|2,0,0]=4 2969 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000184577_100000210206 [0,1,0,0,0,1|2,0,0]=4 2970 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000200193_200000210301 [0,1,0,0,0,1|2,0,0]=4 2971 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_200000211004_100000733263 [0,1,0,0,0,1|2,0,0]=4 2972 B12R1.43 CC(C)N(C)Cc1cccnc1 270004a_200000211004_100000209961 [0,1,0,0,0,1|2,0,0]=4 2973 B12R1.43 CC(C)N(C)Cc1ccncc1 2230a_100000187231_100000210206 [0,1,0,0,0,1|2,0,0]=4 2974 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_100000187231_100000210206 [0,1,0,0,0,1|2,0,0]=4 2975 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_200000211004_100015193705 [0,1,0,0,0,1|2,0,0]=4 2976 B12R1.43 CC(C)N(C)Cc1cnccn1 2230a_100011269079_100000210206 [0,1,0,0,0,1|2,0,0]=4 2977 B12R1.43 CC(C)N(C)Cc1cnccn1 269982a_100011269079_100000210206 [0,1,0,0,0,1|2,0,0]=4 2978 B12R1.43 CC(C)N(C)Cc1cnccn1 269982a_200000211004_100016995436 [0,1,0,0,0,1|2,0,0]=4 2979 B12R1.43 CC(C)N(C)Cc1cnccn1 270004a_200000211004_100000749867 [0,1,0,0,0,1|2,0,0]=4 2980 B12R1.43 CC(C)N(C)Cc1ncccn1 2230a_100025716638_100000210206 [0,1,0,0,0,1|2,0,0]=4 2981 B12R1.43 CC(C)N(C)Cc1ncccn1 269982a_100025716638_100000210206 [0,1,0,0,0,1|2,0,0]=4 2982 B12R1.43 CC(C)N(C)Cc1ncccn1 269982a_200000211004_100000703007 [0,1,0,0,0,1|2,0,0]=4 2983 B12R1.43 CC(C)N(C)Cc1ncccn1 270004a_200000211004_100011532527 [0,1,0,0,0,1|2,0,0]=4 2984 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,1,0,0,0,1|2,0,0]=4 2985 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,1,0,0,0,1|2,0,0]=4 2986 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 2230a_100000200191_200025704644 [0,1,0,0,0,1|2,0,0]=4 2987 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 269982a_100000200191_200025704644 [0,1,0,0,0,1|2,0,0]=4 2988 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 2230a_100000200193_200025704644 [0,1,0,0,0,1|2,0,0]=4 2989 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 269982a_100000200193_200025704644 [0,1,0,0,0,1|2,0,0]=4 2990 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,0,0,0,1|2,0,0]=4 2991 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,1,0,0,0,1|2,0,0]=4 2992 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,1,0,0,0,1|2,0,0]=4 2993 B12R1.107 CC(C)C[C@H](N)c1cccnn1 271570a_100015190218_100016991348 [0,1,0,0,0,1|2,0,0]=4 2994 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,1,0,0,0,1|2,0,0]=4 2995 B12R1.107 CC(C)C[C@H](N)c1ccncn1 271570a_100015190218_100000703185 [0,1,0,0,0,1|2,0,0]=4 2996 B12R1.107 CC(C)C[C@H](N)c1cnccn1 271570a_100015190218_100000758340 [0,1,0,0,0,1|2,0,0]=4 2997 B12R1.107 CC(C)C[C@H](N)c1ncccn1 271570a_100015190218_100000211032 [0,1,0,0,0,1|2,0,0]=4 2998 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,0,1|2,0,0]=4 2999 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,0,1|2,0,0]=4 3000 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,1,0,0,0,1|2,0,0]=4 3001 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,1,0,0,0,1|2,0,0]=4 3002 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,1,0,0,0,1|2,0,0]=4 3003 B12R1.107 CC(C)NC(C)c1cnccn1 2230a_100138425928_200000703233 [0,1,0,0,0,1|2,0,0]=4 3004 B12R1.107 CC(C)NC(C)c1ncccn1 2230a_100020641698_100000210206 [0,1,0,0,0,1|2,0,0]=4 3005 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,0,1|2,0,0]=4 3006 B12R1.107 CC(C)N[C@H](C)c1cnccn1 2230a_100020589798_100000210206 [0,1,0,0,0,1|2,0,0]=4 3007 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,1|1,1,0]=4 3008 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,1|1,1,0]=4 3009 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,1|1,1,0]=4 3010 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,0,0,0,1|1,0,0]=3 3011 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,0,0,0,1|1,0,0]=3 3012 B12R1.107 CC(C)SC(C)c1cnccn1 62a_100000210206_200000703233 [0,1,0,0,0,1|1,0,0]=3 3013 B12R1.107 CC(C)SC(C)c1cnccn1 62a_200000703233_100000210206 [0,1,0,0,0,1|1,0,0]=3 3014 B12R1.125 CC(C)CCc1ncncc1O 271570a_203496583355_200009816994 [0,1,0,0,0,1|2,0,0]=4 3015 B12R1.125 CC(C)COc1cccoc1=O 34a_100000077404_100000210624 [0,1,0,0,0,1|2,0,0]=4 3016 B12R1.125 CC(C)COc1cccoc1=O 7a_100000077404_100000210760 [0,1,0,0,0,1|2,0,0]=4 3017 B12R1.125 CC(C)COc1coccc1=O 34a_100000060831_100000210624 [0,1,0,0,0,1|2,0,0]=4 3018 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,1,0,0,0,1|2,0,0]=4 3019 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,1,0,0,0,1|2,0,0]=4 3020 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,1,0,0,0,1|2,0,0]=4 3021 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,1,0,0,0,1|2,0,0]=4 3022 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,1,0,0,0,1|2,0,0]=4 3023 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,1,0,0,0,1|2,0,0]=4 3024 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,1,0,0,0,1|2,0,0]=4 3025 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,1,0,0,0,1|2,0,0]=4 3026 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,1,0,0,0,1|2,0,0]=4 3027 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,1,0,0,0,1|2,0,0]=4 3028 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,1,0,0,0,1|2,0,0]=4 3029 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,1,0,0,0,1|2,0,0]=4 3030 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,1,0,0,0,1|2,0,0]=4 3031 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,1,0,0,0,1|2,0,0]=4 3032 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,1,0,0,0,1|2,0,0]=4 3033 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,1,0,0,0,1|2,0,0]=4 3034 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,1,0,0,0,1|2,0,0]=4 3035 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,1,0,0,0,1|2,0,0]=4 3036 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,1,0,0,0,1|2,0,0]=4 3037 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100009818023_100000210206 [0,1,0,0,0,1|2,0,0]=4 3038 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100138425928_100010140945 [0,1,0,0,0,1|2,0,0]=4 3039 B12R1.125 CC(C)NCc1cccnc1Br 34a_100009818023_100000210206 [0,1,0,0,0,1|2,0,0]=4 3040 B12R1.125 CC(C)NCc1cccnc1Br 34a_100138425928_100010140945 [0,1,0,0,0,1|2,0,0]=4 3041 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100015189234_100000210206 [0,1,0,0,0,1|2,0,0]=4 3042 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100138425928_100000045678 [0,1,0,0,0,1|2,0,0]=4 3043 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100015189234_100000210206 [0,1,0,0,0,1|2,0,0]=4 3044 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100138425928_100000045678 [0,1,0,0,0,1|2,0,0]=4 3045 B12R1.125 CC(C)NCc1cccnc1F 2230a_100138425928_100000099810 [0,1,0,0,0,1|2,0,0]=4 3046 B12R1.125 CC(C)NCc1cccnc1F 34a_100000724633_100000210206 [0,1,0,0,0,1|2,0,0]=4 3047 B12R1.125 CC(C)NCc1cccnc1F 34a_100138425928_100000099810 [0,1,0,0,0,1|2,0,0]=4 3048 B12R1.125 CC(C)NCc1cccnc1O 207a_100138425928_100011998315 [0,1,0,0,0,1|2,0,0]=4 3049 B12R1.125 CC(C)NCc1ccncc1Cl 207a_100138425928_100011934409 [0,1,0,0,0,1|2,0,0]=4 3050 B12R1.125 CC(C)NCc1ccncc1Cl 2230a_100138425928_100000763264 [0,1,0,0,0,1|2,0,0]=4 3051 B12R1.125 CC(C)NCc1ccncc1F 34a_100011935246_100000210206 [0,1,0,0,0,1|2,0,0]=4 3052 B12R1.125 CC(C)NCc1ncccc1Br 207a_100138425928_100011934733 [0,1,0,0,0,1|2,0,0]=4 3053 B12R1.125 CC(C)NCc1ncccc1Br 2230a_100138425928_100025702911 [0,1,0,0,0,1|2,0,0]=4 3054 B12R1.125 CC(C)NCc1ncccc1Br 34a_100138425928_100025702911 [0,1,0,0,0,1|2,0,0]=4 3055 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,1,0,0,0,1|2,0,0]=4 3056 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,1,0,0,0,1|2,0,0]=4 3057 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,1,0,0,0,1|2,0,0]=4 3058 B12R1.125 CC(C)NCc1ncccc1F 207a_100138425928_100011934734 [0,1,0,0,0,1|2,0,0]=4 3059 B12R1.125 CC(C)NCc1ncccc1F 2230a_100138425928_100000104219 [0,1,0,0,0,1|2,0,0]=4 3060 B12R1.125 CC(C)NCc1ncccc1F 34a_100000690088_100000210206 [0,1,0,0,0,1|2,0,0]=4 3061 B12R1.125 CC(C)NCc1ncccc1F 34a_100138425928_100000104219 [0,1,0,0,0,1|2,0,0]=4 3062 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,1,0,0,0,1|2,0,0]=4 3063 B12R1.125 CC(C)NCc1nccnc1Cl 2230a_100000729963_100000210206 [0,1,0,0,0,1|2,0,0]=4 3064 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,1,0,0,0,1|1,1,0]=4 3065 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,1,0,0,0,1|1,1,0]=4 3066 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,1,0,0,0,1|1,1,0]=4 3067 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,1,0,0,0,1|1,1,0]=4 3068 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,1,0,0,0,1|1,1,0]=4 3069 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,1,0,0,0,1|1,1,0]=4 3070 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,1,0,0,0,1|1,1,0]=4 3071 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,1,0,0,0,1|1,1,0]=4 3072 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,1,0,0,0,1|1,1,0]=4 3073 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,1,0,0,0,1|1,1,0]=4 3074 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,1,0,0,0,1|1,1,0]=4 3075 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,1,0,0,0,1|1,1,0]=4 3076 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,1,0,0,0,1|1,1,0]=4 3077 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000212225_100010140945 [0,1,0,0,0,1|1,1,0]=4 3078 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000719692_100000210206 [0,1,0,0,0,1|1,1,0]=4 3079 B12R1.125 CC(C)OCc1cccnc1Br 7a_100000719692_100000210206 [0,1,0,0,0,1|1,1,0]=4 3080 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000212225_100000045678 [0,1,0,0,0,1|1,1,0]=4 3081 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000748726_100000210206 [0,1,0,0,0,1|1,1,0]=4 3082 B12R1.125 CC(C)OCc1cccnc1Cl 7a_100000748726_100000210206 [0,1,0,0,0,1|1,1,0]=4 3083 B12R1.125 CC(C)OCc1cccnc1F 34a_100000079888_100000210206 [0,1,0,0,0,1|1,1,0]=4 3084 B12R1.125 CC(C)OCc1cccnc1F 34a_100000212225_100000099810 [0,1,0,0,0,1|1,1,0]=4 3085 B12R1.125 CC(C)OCc1cccnc1F 7a_100000079888_100000210206 [0,1,0,0,0,1|1,1,0]=4 3086 B12R1.125 CC(C)OCc1ccncc1F 34a_100012172863_100000210206 [0,1,0,0,0,1|1,1,0]=4 3087 B12R1.125 CC(C)OCc1cnccc1Cl 34a_100000117392_100000210206 [0,1,0,0,0,1|1,1,0]=4 3088 B12R1.125 CC(C)OCc1ncccc1Br 34a_100000212225_100025702911 [0,1,0,0,0,1|1,1,0]=4 3089 B12R1.125 CC(C)OCc1ncccc1Br 34a_100011996772_100000210206 [0,1,0,0,0,1|1,1,0]=4 3090 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,1,0,0,0,1|1,1,0]=4 3091 B12R1.125 CC(C)OCc1ncccc1F 34a_100000212225_100000104219 [0,1,0,0,0,1|1,1,0]=4 3092 B12R1.125 CC(C)OCc1ncccc1F 34a_100011934865_100000210206 [0,1,0,0,0,1|1,1,0]=4 3093 B12R1.125 CC(C)OCc1ncccc1N 34a_114873767017_100000210206 [0,1,0,0,0,1|1,1,0]=4 3094 B12R1.125 CC(C)OCc1ncccc1O 34a_100000212225_200020655725 [0,1,0,0,0,1|1,1,0]=4 3095 B12R1.125 CC(C)OCc1nccnc1Cl 34a_100000057004_100000210206 [0,1,0,0,0,1|1,1,0]=4 3096 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,1,0,0,0,1|1,0,0]=3 3097 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,1,0,0,0,1|1,0,0]=3 3098 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,1,0,0,0,1|1,0,0]=3 3099 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,1,0,0,0,1|1,0,0]=3 3100 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,1,0,0,0,1|1,0,0]=3 3101 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,1,0,0,0,1|1,0,0]=3 3102 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,1,0,0,0,1|1,0,0]=3 3103 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,1,0,0,0,1|1,0,0]=3 3104 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,1,0,0,0,1|1,0,0]=3 3105 B12R1.125 CC(C)SCc1cccnc1Br 62a_100000210206_100010140945 [0,1,0,0,0,1|1,0,0]=3 3106 B12R1.125 CC(C)SCc1cccnc1Br 62a_100010140945_100000210206 [0,1,0,0,0,1|1,0,0]=3 3107 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000045678_100000210206 [0,1,0,0,0,1|1,0,0]=3 3108 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000210206_100000045678 [0,1,0,0,0,1|1,0,0]=3 3109 B12R1.125 CC(C)SCc1cccnc1F 62a_100000099810_100000210206 [0,1,0,0,0,1|1,0,0]=3 3110 B12R1.125 CC(C)SCc1cccnc1F 62a_100000210206_100000099810 [0,1,0,0,0,1|1,0,0]=3 3111 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000210206_100000763264 [0,1,0,0,0,1|1,0,0]=3 3112 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000763264_100000210206 [0,1,0,0,0,1|1,0,0]=3 3113 B12R1.125 CC(C)SCc1ncccc1Br 62a_100000210206_100025702911 [0,1,0,0,0,1|1,0,0]=3 3114 B12R1.125 CC(C)SCc1ncccc1Br 62a_100025702911_100000210206 [0,1,0,0,0,1|1,0,0]=3 3115 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,1,0,0,0,1|1,0,0]=3 3116 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,1,0,0,0,1|1,0,0]=3 3117 B12R1.125 CC(C)SCc1ncccc1F 62a_100000104219_100000210206 [0,1,0,0,0,1|1,0,0]=3 3118 B12R1.125 CC(C)SCc1ncccc1F 62a_100000210206_100000104219 [0,1,0,0,0,1|1,0,0]=3 3119 B12R1.125 CC(C)SCc1ncccc1O 62a_100000210206_200020655725 [0,1,0,0,0,1|1,0,0]=3 3120 B12R1.125 CC(C)SCc1ncccc1O 62a_200020655725_100000210206 [0,1,0,0,0,1|1,0,0]=3 3121 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,1,0,0,0,1|2,0,0]=4 3122 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,1,0,0,0,1|2,0,0]=4 3123 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,1,0,0,0,1|2,0,0]=4 3124 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,1,0,0,0,1|2,0,0]=4 3125 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,1,0,0,0,1|1,1,0]=4 3126 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,1,0,0,0,1|1,1,0]=4 3127 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,1,0,0,0,1|1,1,0]=4 3128 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,1,0,0,0,1|1,0,0]=3 3129 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,1,0,0,0,1|1,0,0]=3 3130 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,1,0,0,0,1|2,0,0]=4 3131 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,1,0,0,0,1|2,0,0]=4 3132 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,1,0,0,0,1|2,0,0]=4 3133 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,1,0,0,0,1|2,0,0]=4 3134 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,1,0,0,0,1|1,1,0]=4 3135 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,1,0,0,0,1|1,1,0]=4 3136 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,1,0,0,0,1|1,0,0]=3 3137 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,1,0,0,0,1|1,0,0]=3 3138 B12R1.125 Cc1ccncc1CNC(C)C 207a_100138425928_100000685662 [0,1,0,0,0,1|2,0,0]=4 3139 B12R1.125 Cc1ccncc1CNC(C)C 2230a_100138425928_100000690890 [0,1,0,0,0,1|2,0,0]=4 3140 B12R1.125 Cc1ccncc1CNC(C)C 34a_100138425928_100000690890 [0,1,0,0,0,1|2,0,0]=4 3141 B12R1.125 Cc1ccncc1COC(C)C 34a_100000212225_100000690890 [0,1,0,0,0,1|1,1,0]=4 3142 B12R1.125 Cc1ccncc1COC(C)C 34a_100011996381_100000210206 [0,1,0,0,0,1|1,1,0]=4 3143 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000210206_100000690890 [0,1,0,0,0,1|1,0,0]=3 3144 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000690890_100000210206 [0,1,0,0,0,1|1,0,0]=3 3145 B12R1.125 Cc1cnccc1CNC(C)C 2230a_100138425928_100020672808 [0,1,0,0,0,1|2,0,0]=4 3146 B12R1.125 Cc1cnccc1CNC(C)C 34a_100138425928_100020672809 [0,1,0,0,0,1|2,0,0]=4 3147 B12R1.125 Cc1cnccc1COC(C)C 34a_100000212225_100020672809 [0,1,0,0,0,1|1,1,0]=4 3148 B12R1.125 Cc1cnccc1COC(C)C 34a_100011997032_100000210206 [0,1,0,0,0,1|1,1,0]=4 3149 B12R1.125 Cc1cnccc1CSC(C)C 62a_100000210206_100020672808 [0,1,0,0,0,1|1,0,0]=3 3150 B12R1.125 Cc1cnccc1CSC(C)C 62a_100020672808_100000210206 [0,1,0,0,0,1|1,0,0]=3 3151 B12R1.125 Cc1ncccc1CNC(C)C 207a_100138425928_100000751968 [0,1,0,0,0,1|2,0,0]=4 3152 B12R1.125 Cc1ncccc1CNC(C)C 2230a_100138425928_100000732876 [0,1,0,0,0,1|2,0,0]=4 3153 B12R1.125 Cc1ncccc1CNC(C)C 34a_100138425928_100000732876 [0,1,0,0,0,1|2,0,0]=4 3154 B12R1.125 Cc1ncccc1COC(C)C 34a_100000212225_100000732876 [0,1,0,0,0,1|1,1,0]=4 3155 B12R1.125 Cc1ncccc1COC(C)C 34a_100000729262_100000210206 [0,1,0,0,0,1|1,1,0]=4 3156 B12R1.125 Cc1ncccc1COC(C)C 7a_100000729262_100000210206 [0,1,0,0,0,1|1,1,0]=4 3157 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000210206_100000732876 [0,1,0,0,0,1|1,0,0]=3 3158 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000732876_100000210206 [0,1,0,0,0,1|1,0,0]=3 3159 B12R1.125 Cc1nccnc1CNC(C)C 2230a_100020641712_100000210206 [0,1,0,0,0,1|2,0,0]=4 3160 B12R1.125 Cc1nccnc1CNC(C)C 34a_100020641712_100000210206 [0,1,0,0,0,1|2,0,0]=4 3161 B12R1.226 CC(C)NCc1cc(ccn1)Br 2230a_100138425928_100010173614 [0,1,0,0,0,1|2,0,0]=4 3162 B12R1.226 CC(C)NCc1cc(ccn1)Br 34a_100138425928_100010173614 [0,1,0,0,0,1|2,0,0]=4 3163 B12R1.226 CC(C)NCc1cc(ccn1)Cl 2230a_100138425928_100016988179 [0,1,0,0,0,1|2,0,0]=4 3164 B12R1.226 CC(C)NCc1cc(ccn1)Cl 34a_100138425928_100016988179 [0,1,0,0,0,1|2,0,0]=4 3165 B12R1.226 CC(C)NCc1cccc(=O)[nH]1 207a_100138425928_100011935257 [0,1,0,0,0,1|2,0,0]=4 3166 B12R1.226 CC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000210206 [0,1,0,0,0,1|2,0,0]=4 3167 B12R1.226 CC(C)NCc1cccc(c1)Br 207a_100138425928_100000210085 [0,1,0,0,0,1|2,0,0]=4 3168 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100000174977_100000210206 [0,1,0,0,0,1|2,0,0]=4 3169 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100138425928_100000698116 [0,1,0,0,0,1|2,0,0]=4 3170 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100000174977_100000210206 [0,1,0,0,0,1|2,0,0]=4 3171 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100138425928_100000698116 [0,1,0,0,0,1|2,0,0]=4 3172 B12R1.226 CC(C)NCc1cccc(c1)Cl 207a_100138425928_100000210801 [0,1,0,0,0,1|2,0,0]=4 3173 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000210206 [0,1,0,0,0,1|2,0,0]=4 3174 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100138425928_100000181238 [0,1,0,0,0,1|2,0,0]=4 3175 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100000174878_100000210206 [0,1,0,0,0,1|2,0,0]=4 3176 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100138425928_100000187163 [0,1,0,0,0,1|2,0,0]=4 3177 B12R1.226 CC(C)NCc1cccc(c1)F 207a_100138425928_100000210812 [0,1,0,0,0,1|2,0,0]=4 3178 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100000174948_100000210206 [0,1,0,0,0,1|2,0,0]=4 3179 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100138425928_100000230114 [0,1,0,0,0,1|2,0,0]=4 3180 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100000174948_100000210206 [0,1,0,0,0,1|2,0,0]=4 3181 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100138425928_100000187166 [0,1,0,0,0,1|2,0,0]=4 3182 B12R1.226 CC(C)NCc1cccc(c1)I 207a_100138425928_100000014684 [0,1,0,0,0,1|2,0,0]=4 3183 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100000106179_100000210206 [0,1,0,0,0,1|2,0,0]=4 3184 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100138425928_100011218688 [0,1,0,0,0,1|2,0,0]=4 3185 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100000106179_100000210206 [0,1,0,0,0,1|2,0,0]=4 3186 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100138425928_100011218688 [0,1,0,0,0,1|2,0,0]=4 3187 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [0,1,0,0,0,1|2,0,0]=4 3188 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [0,1,0,0,0,1|2,0,0]=4 3189 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [0,1,0,0,0,1|2,0,0]=4 3190 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [0,1,0,0,0,1|2,0,0]=4 3191 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [0,1,0,0,0,1|2,0,0]=4 3192 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [0,1,0,0,0,1|2,0,0]=4 3193 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100016987751_100000210206 [0,1,0,0,0,1|2,0,0]=4 3194 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100138425928_100009889011 [0,1,0,0,0,1|2,0,0]=4 3195 B12R1.226 CC(C)NCc1cccc(n1)Br 34a_100138425928_100009889011 [0,1,0,0,0,1|2,0,0]=4 3196 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100016990191_100000210206 [0,1,0,0,0,1|2,0,0]=4 3197 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100138425928_100000086093 [0,1,0,0,0,1|2,0,0]=4 3198 B12R1.226 CC(C)NCc1cccc(n1)Cl 34a_100138425928_100000086093 [0,1,0,0,0,1|2,0,0]=4 3199 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100015188798_100000210206 [0,1,0,0,0,1|2,0,0]=4 3200 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100138425928_100009819644 [0,1,0,0,0,1|2,0,0]=4 3201 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100015188798_100000210206 [0,1,0,0,0,1|2,0,0]=4 3202 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100138425928_100009819644 [0,1,0,0,0,1|2,0,0]=4 3203 B12R1.226 CC(C)NCc1ccnc(c1)Br 2230a_100025757509_100000210206 [0,1,0,0,0,1|2,0,0]=4 3204 B12R1.226 CC(C)NCc1ccnc(c1)Br 2230a_100138425928_100010243470 [0,1,0,0,0,1|2,0,0]=4 3205 B12R1.226 CC(C)NCc1ccnc(c1)Br 34a_100025757509_100000210206 [0,1,0,0,0,1|2,0,0]=4 3206 B12R1.226 CC(C)NCc1ccnc(c1)Br 34a_100138425928_100010243470 [0,1,0,0,0,1|2,0,0]=4 3207 B12R1.226 CC(C)NCc1ccnc(c1)Cl 2230a_100015205668_100000210206 [0,1,0,0,0,1|2,0,0]=4 3208 B12R1.226 CC(C)NCc1ccnc(c1)Cl 2230a_100138425928_100000764220 [0,1,0,0,0,1|2,0,0]=4 3209 B12R1.226 CC(C)NCc1ccnc(c1)Cl 34a_100015205668_100000210206 [0,1,0,0,0,1|2,0,0]=4 3210 B12R1.226 CC(C)NCc1ccnc(c1)Cl 34a_100138425928_100000764220 [0,1,0,0,0,1|2,0,0]=4 3211 B12R1.226 CC(C)NCc1ccnc(c1)F 2230a_100015188774_100000210206 [0,1,0,0,0,1|2,0,0]=4 3212 B12R1.226 CC(C)NCc1ccnc(c1)F 34a_100015188774_100000210206 [0,1,0,0,0,1|2,0,0]=4 3213 B12R1.226 CC(C)NCc1ccnc(c1)O 207a_100138425928_100000688113 [0,1,0,0,0,1|2,0,0]=4 3214 B12R1.226 CC(C)NCc1ccnc(n1)Cl 2230a_100138425928_100000099655 [0,1,0,0,0,1|2,0,0]=4 3215 B12R1.226 CC(C)NCc1ccnc(n1)Cl 34a_100138425928_100000099655 [0,1,0,0,0,1|2,0,0]=4 3216 B12R1.226 CC(C)NCc1cncc(c1)Br 207a_100138425928_100000687066 [0,1,0,0,0,1|2,0,0]=4 3217 B12R1.226 CC(C)NCc1cncc(c1)Br 2230a_100138425928_100000738771 [0,1,0,0,0,1|2,0,0]=4 3218 B12R1.226 CC(C)NCc1cncc(c1)Br 34a_100138425928_100000738771 [0,1,0,0,0,1|2,0,0]=4 3219 B12R1.226 CC(C)NCc1cncc(c1)Cl 207a_100138425928_100000088910 [0,1,0,0,0,1|2,0,0]=4 3220 B12R1.226 CC(C)NCc1cncc(c1)Cl 2230a_100138425928_100016992070 [0,1,0,0,0,1|2,0,0]=4 3221 B12R1.226 CC(C)NCc1cncc(c1)Cl 2230a_200020614424_100000210206 [0,1,0,0,0,1|2,0,0]=4 3222 B12R1.226 CC(C)NCc1cncc(c1)Cl 34a_100138425928_100016992070 [0,1,0,0,0,1|2,0,0]=4 3223 B12R1.226 CC(C)NCc1cncc(c1)F 207a_100138425928_100011361476 [0,1,0,0,0,1|2,0,0]=4 3224 B12R1.226 CC(C)NCc1cncc(c1)F 2230a_100011962886_100000210206 [0,1,0,0,0,1|2,0,0]=4 3225 B12R1.226 CC(C)NCc1cncc(c1)F 2230a_100138425928_100000725299 [0,1,0,0,0,1|2,0,0]=4 3226 B12R1.226 CC(C)NCc1cncc(c1)F 34a_100011962886_100000210206 [0,1,0,0,0,1|2,0,0]=4 3227 B12R1.226 CC(C)NCc1cncc(c1)F 34a_100138425928_100000725299 [0,1,0,0,0,1|2,0,0]=4 3228 B12R1.226 CC(C)NCc1cncc(c1)O 207a_100138425928_100012187055 [0,1,0,0,0,1|2,0,0]=4 3229 B12R1.226 CC(C)OCc1cc(ccn1)Br 34a_100000212225_100010173614 [0,1,0,0,0,1|1,1,0]=4 3230 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000212225_100016988179 [0,1,0,0,0,1|1,1,0]=4 3231 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000748867_100000210206 [0,1,0,0,0,1|1,1,0]=4 3232 B12R1.226 CC(C)OCc1cc(ccn1)N 34a_100000692640_100000210206 [0,1,0,0,0,1|1,1,0]=4 3233 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] 34a_100000037817_100000210206 [0,1,0,0,0,1|1,1,0]=4 3234 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_100000210206 [0,1,0,0,0,1|1,1,0]=4 3235 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [0,1,0,0,0,1|1,1,0]=4 3236 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [0,1,0,0,0,1|1,1,0]=4 3237 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [0,1,0,0,0,1|1,1,0]=4 3238 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [0,1,0,0,0,1|1,1,0]=4 3239 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [0,1,0,0,0,1|1,1,0]=4 3240 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [0,1,0,0,0,1|1,1,0]=4 3241 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [0,1,0,0,0,1|1,1,0]=4 3242 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [0,1,0,0,0,1|1,1,0]=4 3243 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [0,1,0,0,0,1|1,1,0]=4 3244 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [0,1,0,0,0,1|1,1,0]=4 3245 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [0,1,0,0,0,1|1,1,0]=4 3246 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [0,1,0,0,0,1|1,1,0]=4 3247 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [0,1,0,0,0,1|1,1,0]=4 3248 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [0,1,0,0,0,1|1,1,0]=4 3249 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000212225_100009889011 [0,1,0,0,0,1|1,1,0]=4 3250 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000694195_100000210206 [0,1,0,0,0,1|1,1,0]=4 3251 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100000212225_100000086093 [0,1,0,0,0,1|1,1,0]=4 3252 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100011998359_100000210206 [0,1,0,0,0,1|1,1,0]=4 3253 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000086748_100000210206 [0,1,0,0,0,1|1,1,0]=4 3254 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000212225_100009819644 [0,1,0,0,0,1|1,1,0]=4 3255 B12R1.226 CC(C)OCc1ccnc(c1)Br 34a_100000212225_100010243470 [0,1,0,0,0,1|1,1,0]=4 3256 B12R1.226 CC(C)OCc1ccnc(c1)Br 34a_100009814636_100000210206 [0,1,0,0,0,1|1,1,0]=4 3257 B12R1.226 CC(C)OCc1ccnc(c1)Br 7a_100009814636_100000210206 [0,1,0,0,0,1|1,1,0]=4 3258 B12R1.226 CC(C)OCc1ccnc(c1)Cl 34a_100000212225_100000764220 [0,1,0,0,0,1|1,1,0]=4 3259 B12R1.226 CC(C)OCc1ccnc(c1)Cl 34a_100000748751_100000210206 [0,1,0,0,0,1|1,1,0]=4 3260 B12R1.226 CC(C)OCc1ccnc(c1)F 34a_100000082451_100000210206 [0,1,0,0,0,1|1,1,0]=4 3261 B12R1.226 CC(C)OCc1ccnc(n1)Cl 34a_100000212225_100000099655 [0,1,0,0,0,1|1,1,0]=4 3262 B12R1.226 CC(C)OCc1cncc(c1)Br 34a_100000212225_100000738771 [0,1,0,0,0,1|1,1,0]=4 3263 B12R1.226 CC(C)OCc1cncc(c1)Br 34a_100011259137_100000210206 [0,1,0,0,0,1|1,1,0]=4 3264 B12R1.226 CC(C)OCc1cncc(c1)Br 7a_100011259137_100000210206 [0,1,0,0,0,1|1,1,0]=4 3265 B12R1.226 CC(C)OCc1cncc(c1)Cl 34a_100000092867_100000210206 [0,1,0,0,0,1|1,1,0]=4 3266 B12R1.226 CC(C)OCc1cncc(c1)Cl 34a_100000212225_100016992070 [0,1,0,0,0,1|1,1,0]=4 3267 B12R1.226 CC(C)OCc1cncc(c1)Cl 7a_100000092867_100000210206 [0,1,0,0,0,1|1,1,0]=4 3268 B12R1.226 CC(C)OCc1cncc(c1)F 34a_100000212225_100000725299 [0,1,0,0,0,1|1,1,0]=4 3269 B12R1.226 CC(C)OCc1cncc(c1)F 34a_100011962875_100000210206 [0,1,0,0,0,1|1,1,0]=4 3270 B12R1.226 CC(C)OCc1cncc(c1)F 7a_100011962875_100000210206 [0,1,0,0,0,1|1,1,0]=4 3271 B12R1.226 CC(C)OCc1cncc(c1)N 34a_100000085308_100000210206 [0,1,0,0,0,1|1,1,0]=4 3272 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100000210206_100010173614 [0,1,0,0,0,1|1,0,0]=3 3273 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100010173614_100000210206 [0,1,0,0,0,1|1,0,0]=3 3274 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100000210206_100016988179 [0,1,0,0,0,1|1,0,0]=3 3275 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100016988179_100000210206 [0,1,0,0,0,1|1,0,0]=3 3276 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000210206_100000211773 [0,1,0,0,0,1|1,0,0]=3 3277 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000211773_100000210206 [0,1,0,0,0,1|1,0,0]=3 3278 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000187163_100000210206 [0,1,0,0,0,1|1,0,0]=3 3279 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000210206_100000187163 [0,1,0,0,0,1|1,0,0]=3 3280 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000210206_100000230114 [0,1,0,0,0,1|1,0,0]=3 3281 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000230114_100000210206 [0,1,0,0,0,1|1,0,0]=3 3282 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100000210206_100011218688 [0,1,0,0,0,1|1,0,0]=3 3283 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100011218688_100000210206 [0,1,0,0,0,1|1,0,0]=3 3284 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100000210206_100011660834 [0,1,0,0,0,1|1,0,0]=3 3285 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100011660834_100000210206 [0,1,0,0,0,1|1,0,0]=3 3286 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100000210206_100009889011 [0,1,0,0,0,1|1,0,0]=3 3287 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100009889011_100000210206 [0,1,0,0,0,1|1,0,0]=3 3288 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000086093_100000210206 [0,1,0,0,0,1|1,0,0]=3 3289 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000210206_100000086093 [0,1,0,0,0,1|1,0,0]=3 3290 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100000210206_100009819644 [0,1,0,0,0,1|1,0,0]=3 3291 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100009819644_100000210206 [0,1,0,0,0,1|1,0,0]=3 3292 B12R1.226 CC(C)SCc1ccnc(c1)Br 62a_100000210206_100010243470 [0,1,0,0,0,1|1,0,0]=3 3293 B12R1.226 CC(C)SCc1ccnc(c1)Br 62a_100010254460_100000210206 [0,1,0,0,0,1|1,0,0]=3 3294 B12R1.226 CC(C)SCc1ccnc(c1)Cl 62a_100000210206_100000764220 [0,1,0,0,0,1|1,0,0]=3 3295 B12R1.226 CC(C)SCc1ccnc(c1)Cl 62a_100000764220_100000210206 [0,1,0,0,0,1|1,0,0]=3 3296 B12R1.226 CC(C)SCc1ccnc(n1)Cl 62a_100000099655_100000210206 [0,1,0,0,0,1|1,0,0]=3 3297 B12R1.226 CC(C)SCc1ccnc(n1)Cl 62a_100000210206_100000099655 [0,1,0,0,0,1|1,0,0]=3 3298 B12R1.226 CC(C)SCc1cncc(c1)Br 62a_100000210206_100000738771 [0,1,0,0,0,1|1,0,0]=3 3299 B12R1.226 CC(C)SCc1cncc(c1)Br 62a_100000738771_100000210206 [0,1,0,0,0,1|1,0,0]=3 3300 B12R1.226 CC(C)SCc1cncc(c1)Cl 62a_100000210206_100016992070 [0,1,0,0,0,1|1,0,0]=3 3301 B12R1.226 CC(C)SCc1cncc(c1)Cl 62a_100016992070_100000210206 [0,1,0,0,0,1|1,0,0]=3 3302 B12R1.226 CC(C)SCc1cncc(c1)F 62a_100000210206_100000725299 [0,1,0,0,0,1|1,0,0]=3 3303 B12R1.226 CC(C)SCc1cncc(c1)F 62a_100000725299_100000210206 [0,1,0,0,0,1|1,0,0]=3 3304 B12R1.226 Cc1cc(ccn1)CNC(C)C 207a_100138425928_100011361630 [0,1,0,0,0,1|2,0,0]=4 3305 B12R1.226 Cc1cc(ccn1)CNC(C)C 2230a_100138425928_200020672517 [0,1,0,0,0,1|2,0,0]=4 3306 B12R1.226 Cc1cc(ccn1)CNC(C)C 34a_100011934566_100000210206 [0,1,0,0,0,1|2,0,0]=4 3307 B12R1.226 Cc1cc(ccn1)CNC(C)C 34a_100138425928_200020672517 [0,1,0,0,0,1|2,0,0]=4 3308 B12R1.226 Cc1cc(ccn1)COC(C)C 34a_100000212225_200020672517 [0,1,0,0,0,1|1,1,0]=4 3309 B12R1.226 Cc1cc(ccn1)COC(C)C 34a_100011998630_100000210206 [0,1,0,0,0,1|1,1,0]=4 3310 B12R1.226 Cc1cc(ccn1)CSC(C)C 62a_100000210206_200020672517 [0,1,0,0,0,1|1,0,0]=3 3311 B12R1.226 Cc1cc(ccn1)CSC(C)C 62a_200020672517_100000210206 [0,1,0,0,0,1|1,0,0]=3 3312 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,1,0,0,0,1|2,0,0]=4 3313 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,1,0,0,0,1|2,0,0]=4 3314 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,1,0,0,0,1|2,0,0]=4 3315 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,1,0,0,0,1|2,0,0]=4 3316 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,1,0,0,0,1|2,0,0]=4 3317 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,1,0,0,0,1|1,1,0]=4 3318 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,1,0,0,0,1|1,1,0]=4 3319 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,1,0,0,0,1|1,1,0]=4 3320 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [0,1,0,0,0,1|1,0,0]=3 3321 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [0,1,0,0,0,1|1,0,0]=3 3322 B12R1.226 Cc1cccc(n1)CNC(C)C 207a_100138425928_100011215050 [0,1,0,0,0,1|2,0,0]=4 3323 B12R1.226 Cc1cccc(n1)CNC(C)C 2230a_100138425928_100000757606 [0,1,0,0,0,1|2,0,0]=4 3324 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100000701342_100000210206 [0,1,0,0,0,1|2,0,0]=4 3325 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100138425928_100000757606 [0,1,0,0,0,1|2,0,0]=4 3326 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000212225_100000757606 [0,1,0,0,0,1|1,1,0]=4 3327 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000690600_100000210206 [0,1,0,0,0,1|1,1,0]=4 3328 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000210206_100000757606 [0,1,0,0,0,1|1,0,0]=3 3329 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000757606_100000210206 [0,1,0,0,0,1|1,0,0]=3 3330 B12R1.226 Cc1ccnc(c1)CNC(C)C 207a_100138425928_100011361488 [0,1,0,0,0,1|2,0,0]=4 3331 B12R1.226 Cc1ccnc(c1)CNC(C)C 2230a_100138425928_100000718516 [0,1,0,0,0,1|2,0,0]=4 3332 B12R1.226 Cc1ccnc(c1)CNC(C)C 34a_100138425928_100000718516 [0,1,0,0,0,1|2,0,0]=4 3333 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100000212225_100000718516 [0,1,0,0,0,1|1,1,0]=4 3334 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100011998357_100000210206 [0,1,0,0,0,1|1,1,0]=4 3335 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000210206_100000718516 [0,1,0,0,0,1|1,0,0]=3 3336 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000718516_100000210206 [0,1,0,0,0,1|1,0,0]=3 3337 B12R1.226 Cc1ccnc(n1)CNC(C)C 2230a_100015186494_100000210206 [0,1,0,0,0,1|2,0,0]=4 3338 B12R1.226 Cc1cncc(c1)CNC(C)C 207a_100138425928_100011998712 [0,1,0,0,0,1|2,0,0]=4 3339 B12R1.226 Cc1cncc(c1)CNC(C)C 2230a_100000692839_100000210206 [0,1,0,0,0,1|2,0,0]=4 3340 B12R1.226 Cc1cncc(c1)CNC(C)C 2230a_100138425928_100000716715 [0,1,0,0,0,1|2,0,0]=4 3341 B12R1.226 Cc1cncc(c1)CNC(C)C 34a_100000692839_100000210206 [0,1,0,0,0,1|2,0,0]=4 3342 B12R1.226 Cc1cncc(c1)CNC(C)C 34a_100138425928_100000716715 [0,1,0,0,0,1|2,0,0]=4 3343 B12R1.226 Cc1cncc(c1)COC(C)C 34a_100000212225_100000716715 [0,1,0,0,0,1|1,1,0]=4 3344 B12R1.226 Cc1cncc(c1)COC(C)C 34a_100011998709_100000210206 [0,1,0,0,0,1|1,1,0]=4 3345 B12R1.226 Cc1cncc(c1)COC(C)C 7a_100011998709_100000210206 [0,1,0,0,0,1|1,1,0]=4 3346 B12R1.226 Cc1cncc(c1)CSC(C)C 62a_100000210206_100000716715 [0,1,0,0,0,1|1,0,0]=3 3347 B12R1.226 Cc1cncc(c1)CSC(C)C 62a_100000716715_100000210206 [0,1,0,0,0,1|1,0,0]=3 3348 B12R1.226 Cc1cncc(n1)CNC(C)C 207a_100138425928_100000100294 [0,1,0,0,0,1|2,0,0]=4 3349 B12R1.226 Cc1cnnc(c1)COC(C)C 34a_100016212594_100000210206 [0,1,0,0,0,1|1,1,0]=4 3350 B12R1.891 CC(C)(C)NCc1ccccc1 207a_100000715429_100015611070 [0,1,0,0,0,1|2,0,0]=4 3351 B12R1.891 CC(C)(C)NCc1ccccc1 2230a_100000715429_100015291786 [0,1,0,0,0,1|2,0,0]=4 3352 B12R1.891 CC(C)(C)NCc1ccccc1 34a_100015324214_100000210625 [0,1,0,0,0,1|2,0,0]=4 3353 B12R1.891 CC(C)(C)NCc1ccccn1 207a_100000715429_100000209966 [0,1,0,0,0,1|2,0,0]=4 3354 B12R1.891 CC(C)(C)NCc1ccccn1 2230a_100000715429_100000721315 [0,1,0,0,0,1|2,0,0]=4 3355 B12R1.891 CC(C)(C)NCc1cccnc1 207a_100000715429_100000209961 [0,1,0,0,0,1|2,0,0]=4 3356 B12R1.891 CC(C)(C)NCc1cccnc1 2230a_100000715429_100000741622 [0,1,0,0,0,1|2,0,0]=4 3357 B12R1.891 CC(C)(C)NCc1cccnn1 2230a_100000715429_100016990269 [0,1,0,0,0,1|2,0,0]=4 3358 B12R1.891 CC(C)(C)NCc1ccncc1 207a_100000715429_100000186114 [0,1,0,0,0,1|2,0,0]=4 3359 B12R1.891 CC(C)(C)NCc1ccncc1 2230a_100000715429_100015193705 [0,1,0,0,0,1|2,0,0]=4 3360 B12R1.891 CC(C)(C)NCc1cnccn1 2230a_100000715429_100016995436 [0,1,0,0,0,1|2,0,0]=4 3361 B12R1.891 CC(C)(C)NCc1ncccn1 2230a_100000715429_100000703007 [0,1,0,0,0,1|2,0,0]=4 3362 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [0,1,0,0,0,1|1,1,0]=4 3363 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [0,1,0,0,0,1|1,1,0]=4 3364 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [0,1,0,0,0,1|1,1,0]=4 3365 B12R1.891 CC(C)(C)OCc1ccccn1 34a_100015890283_100000721315 [0,1,0,0,0,1|1,1,0]=4 3366 B12R1.891 CC(C)(C)OCc1ccccn1 7a_100015890283_100000721315 [0,1,0,0,0,1|1,1,0]=4 3367 B12R1.891 CC(C)(C)OCc1cccnc1 34a_100015890283_100000733263 [0,1,0,0,0,1|1,1,0]=4 3368 B12R1.891 CC(C)(C)OCc1cccnc1 7a_100015890283_100000741622 [0,1,0,0,0,1|1,1,0]=4 3369 B12R1.891 CC(C)(C)OCc1cccnn1 34a_100015890283_100016990269 [0,1,0,0,0,1|1,1,0]=4 3370 B12R1.891 CC(C)(C)OCc1cccnn1 7a_100015890283_100016990269 [0,1,0,0,0,1|1,1,0]=4 3371 B12R1.891 CC(C)(C)OCc1ccncc1 7a_100015890283_100015193705 [0,1,0,0,0,1|1,1,0]=4 3372 B12R1.891 CC(C)(C)OCc1cnccn1 34a_100015890283_100016995436 [0,1,0,0,0,1|1,1,0]=4 3373 B12R1.891 CC(C)(C)OCc1cnccn1 7a_100015890283_100016995436 [0,1,0,0,0,1|1,1,0]=4 3374 B12R1.891 CC(C)(C)OCc1ncccn1 34a_100015890283_100000703007 [0,1,0,0,0,1|1,1,0]=4 3375 B12R1.891 CC(C)(C)OCc1ncccn1 7a_100015890283_100000703007 [0,1,0,0,0,1|1,1,0]=4 3376 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211182_100000211941 [0,1,0,0,0,1|1,0,0]=3 3377 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211941_100015291786 [0,1,0,0,0,1|1,0,0]=3 3378 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000211941_100000721315 [0,1,0,0,0,1|1,0,0]=3 3379 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000721315_100000211941 [0,1,0,0,0,1|1,0,0]=3 3380 B12R1.891 CC(C)(C)SCc1cccnc1 62a_100000211941_100000741622 [0,1,0,0,0,1|1,0,0]=3 3381 B12R1.891 CC(C)(C)SCc1cccnc1 62a_100000741622_100000211941 [0,1,0,0,0,1|1,0,0]=3 3382 B12R1.891 CC(C)(C)SCc1cccnn1 62a_100000211941_100016990269 [0,1,0,0,0,1|1,0,0]=3 3383 B12R1.891 CC(C)(C)SCc1cccnn1 62a_100016990269_100000211941 [0,1,0,0,0,1|1,0,0]=3 3384 B12R1.891 CC(C)(C)SCc1ccncc1 62a_100000211941_100015193705 [0,1,0,0,0,1|1,0,0]=3 3385 B12R1.891 CC(C)(C)SCc1ccncc1 62a_100015193705_100000211941 [0,1,0,0,0,1|1,0,0]=3 3386 B12R1.891 CC(C)(C)SCc1cnccn1 62a_100000211941_100016995436 [0,1,0,0,0,1|1,0,0]=3 3387 B12R1.891 CC(C)(C)SCc1cnccn1 62a_100016995436_100000211941 [0,1,0,0,0,1|1,0,0]=3 3388 B12R1.891 CC(C)(C)SCc1cncnc1 62a_100000211941_100015196519 [0,1,0,0,0,1|2,0,0]=4 3389 B12R1.891 CC(C)(C)SCc1cncnc1 62a_100015196519_100000211941 [0,1,0,0,0,1|2,0,0]=4 3390 B12R1.891 CC(C)(C)SCc1ncccn1 62a_100000211941_100000703007 [0,1,0,0,0,1|1,0,0]=3 3391 B12R1.891 CC(C)(C)SCc1ncccn1 62a_100000703007_100000211941 [0,1,0,0,0,1|1,0,0]=3 3392 B12R1.54 CC(=NNC(C)C)c1ccco1 4a_100000741168_100000210965 [0,1,0,0,0,1|1,0,1]=4 3393 B12R1.54 CC(C)CNC(C)c1ccc[nH]1 269862a_100000210953_100000183661 [0,1,0,0,0,1|2,0,0]=4 3394 B12R1.54 CC(C)CNC(C)c1cccs1 2230a_100000703493_100000210760 [0,1,0,0,0,1|1,1,0]=4 3395 B12R1.54 CC(C)CNC(C)c1cccs1 269862a_100000210953_100000185736 [0,1,0,0,0,1|1,1,0]=4 3396 B12R1.54 CC(C)CNC(C)c1cccs1 270004a_100000703493_100000210432 [0,1,0,0,0,1|1,1,0]=4 3397 B12R1.54 CC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000210760 [0,1,0,0,0,1|1,0,0]=3 3398 B12R1.54 CC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000210432 [0,1,0,0,0,1|1,0,0]=3 3399 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,1,0,0,0,1|0,1,0]=3 3400 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,1,0,0,0,1|0,1,0]=3 3401 B12R1.54 CC(C)CO[C@H](C)c1cccs1 7a_100000750433_100000210760 [0,1,0,0,0,1|0,2,0]=4 3402 B12R1.54 CC(C)NCC(=O)c1cccs1 2230a_100138425928_100000211436 [0,1,0,0,0,1|1,1,0]=4 3403 B12R1.54 CC(C)NCC(O)c1ccco1 2230a_100000738650_100000210206 [0,1,0,0,0,1|1,0,0]=3 3404 B12R1.54 CC(C)OCC(N)c1cccs1 34a_100102422791_100000210206 [0,1,0,0,0,1|0,2,0]=4 3405 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_100000210206_200011262396 [0,1,0,0,0,1|1,0,0]=3 3406 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210206 [0,1,0,0,0,1|1,0,0]=3 3407 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [0,1,0,0,0,1|0,0,0]=2 3408 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [0,1,0,0,0,1|0,0,0]=2 3409 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000210206_100000211436 [0,1,0,0,0,1|0,1,0]=3 3410 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000211436_100000210206 [0,1,0,0,0,1|0,1,0]=3 3411 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100000210206_100011219462 [0,1,0,0,0,1|2,0,0]=4 3412 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100011219462_100000210206 [0,1,0,0,0,1|2,0,0]=4 3413 B12R1.54 CC(C)SCC(=O)c1nccs1 62a_100000210206_100000718653 [0,1,0,0,0,1|1,1,0]=4 3414 B12R1.54 CC(C)SCC(=O)c1nccs1 62a_100000718653_100000210206 [0,1,0,0,0,1|1,1,0]=4 3415 B12R1.54 CC(C)SCC(=O)n1cccn1 62a_100000077511_100000210206 [0,1,0,0,0,1|2,0,0]=4 3416 B12R1.54 CC(C)SCC(=O)n1cccn1 62a_100000210206_100000077511 [0,1,0,0,0,1|2,0,0]=4 3417 B12R1.54 CC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218427 [0,1,0,0,0,1|2,0,0]=4 3418 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,1,0,0,0,1|1,1,0]=4 3419 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,1,0,0,0,1|1,1,0]=4 3420 B12R1.54 C[C@@H](O)CN[C@H](C)c1ccco1 2230a_100160469435_100009817552 [0,1,0,0,0,1|2,0,0]=4 3421 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,1,0,0,0,1|1,1,0]=4 3422 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,1,0,0,0,1|1,1,0]=4 3423 B12R1.105 CC(C)CCSc1ccc(s1)Br 62a_100000210312_100010197418 [0,1,0,0,0,1|1,1,0]=4 3424 B12R1.105 CC(C)CCSc1ccc(s1)Br 62a_100010197418_100000210312 [0,1,0,0,0,1|1,1,0]=4 3425 B12R1.105 CC(C)CNCc1cc(c[nH]1)Br 270004a_100000210953_100000720742 [0,1,0,0,0,1|2,0,0]=4 3426 B12R1.105 CC(C)CNCc1cc(co1)Br 270004a_100000210953_100000747035 [0,1,0,0,0,1|1,0,0]=3 3427 B12R1.105 CC(C)CNCc1cc(cs1)Br 207a_100000210953_100000211722 [0,1,0,0,0,1|1,1,0]=4 3428 B12R1.105 CC(C)CNCc1cc(cs1)Br 2230a_100000210953_100000746031 [0,1,0,0,0,1|1,1,0]=4 3429 B12R1.105 CC(C)CNCc1cc(cs1)Br 2230a_100000741024_100000210760 [0,1,0,0,0,1|1,1,0]=4 3430 B12R1.105 CC(C)CNCc1cc(cs1)Br 270004a_100000210953_100000211722 [0,1,0,0,0,1|1,1,0]=4 3431 B12R1.105 CC(C)CNCc1cc(cs1)Br 270004a_100000741024_100000210432 [0,1,0,0,0,1|1,1,0]=4 3432 B12R1.105 CC(C)CNCc1cc(cs1)Br 34a_100000210953_100000746031 [0,1,0,0,0,1|1,1,0]=4 3433 B12R1.105 CC(C)CNCc1cc(cs1)Br 34a_100000741024_100000210624 [0,1,0,0,0,1|1,1,0]=4 3434 B12R1.105 CC(C)CNCc1cc(cs1)Cl 207a_100000210953_100000102487 [0,1,0,0,0,1|1,1,0]=4 3435 B12R1.105 CC(C)CNCc1cc(cs1)Cl 270004a_100000210953_100000102487 [0,1,0,0,0,1|1,1,0]=4 3436 B12R1.105 CC(C)CNCc1cc(cs1)I 207a_100000210953_100010179861 [0,1,0,0,0,1|1,1,0]=4 3437 B12R1.105 CC(C)CNCc1cc(no1)Br 2230a_100015193020_100000210760 [0,1,0,0,0,1|2,0,0]=4 3438 B12R1.105 CC(C)CNCc1cc(no1)Br 270004a_100000210953_100009819588 [0,1,0,0,0,1|2,0,0]=4 3439 B12R1.105 CC(C)CNCc1cc(no1)Br 34a_100015193020_100000210624 [0,1,0,0,0,1|2,0,0]=4 3440 B12R1.105 CC(C)CNCc1ccc(o1)Br 207a_100000210953_100000185145 [0,1,0,0,0,1|1,0,0]=3 3441 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000210953_100000185145 [0,1,0,0,0,1|1,0,0]=3 3442 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000708654_100000210432 [0,1,0,0,0,1|1,0,0]=3 3443 B12R1.105 CC(C)CNCc1ccc(o1)Br 34a_100000708654_100000210624 [0,1,0,0,0,1|1,0,0]=3 3444 B12R1.105 CC(C)CNCc1ccc(o1)Cl 207a_100000210953_100000188459 [0,1,0,0,0,1|1,0,0]=3 3445 B12R1.105 CC(C)CNCc1ccc(o1)Cl 270004a_100000210953_100000188459 [0,1,0,0,0,1|1,0,0]=3 3446 B12R1.105 CC(C)CNCc1ccc(o1)I 207a_100000210953_100000186757 [0,1,0,0,0,1|1,0,0]=3 3447 B12R1.105 CC(C)CNCc1ccc(s1)Br 207a_100000210953_100000179771 [0,1,0,0,0,1|1,1,0]=4 3448 B12R1.105 CC(C)CNCc1ccc(s1)Br 2230a_100000210953_100000708592 [0,1,0,0,0,1|1,1,0]=4 3449 B12R1.105 CC(C)CNCc1ccc(s1)Br 270004a_100000210953_100000179771 [0,1,0,0,0,1|1,1,0]=4 3450 B12R1.105 CC(C)CNCc1ccc(s1)Br 270004a_100000737305_100000210432 [0,1,0,0,0,1|1,1,0]=4 3451 B12R1.105 CC(C)CNCc1ccc(s1)Br 34a_100000210953_100000708592 [0,1,0,0,0,1|1,1,0]=4 3452 B12R1.105 CC(C)CNCc1ccc(s1)Cl 207a_100000210953_100000242774 [0,1,0,0,0,1|1,1,0]=4 3453 B12R1.105 CC(C)CNCc1ccc(s1)Cl 2230a_100000210953_100000185097 [0,1,0,0,0,1|1,1,0]=4 3454 B12R1.105 CC(C)CNCc1ccc(s1)Cl 2230a_100000737310_100000210760 [0,1,0,0,0,1|1,1,0]=4 3455 B12R1.105 CC(C)CNCc1ccc(s1)Cl 270004a_100000210953_100000242774 [0,1,0,0,0,1|1,1,0]=4 3456 B12R1.105 CC(C)CNCc1ccc(s1)Cl 270004a_100000737310_100000210432 [0,1,0,0,0,1|1,1,0]=4 3457 B12R1.105 CC(C)CNCc1ccc(s1)Cl 34a_100000210953_100000185097 [0,1,0,0,0,1|1,1,0]=4 3458 B12R1.105 CC(C)COCc1cc(cs1)Br 34a_100000210257_100000746031 [0,1,0,0,0,1|0,2,0]=4 3459 B12R1.105 CC(C)COCc1cc(cs1)Br 34a_100000238369_100000210624 [0,1,0,0,0,1|0,2,0]=4 3460 B12R1.105 CC(C)COCc1cc(cs1)Br 7a_100000238369_100000210760 [0,1,0,0,0,1|0,2,0]=4 3461 B12R1.105 CC(C)COCc1cc(no1)Br 34a_100009816691_100000210624 [0,1,0,0,0,1|1,1,0]=4 3462 B12R1.105 CC(C)COCc1ccc(o1)Br 34a_100000246276_100000210624 [0,1,0,0,0,1|0,1,0]=3 3463 B12R1.105 CC(C)COCc1ccc(o1)Br 7a_100000246276_100000210760 [0,1,0,0,0,1|0,1,0]=3 3464 B12R1.105 CC(C)COCc1ccc(s1)Br 34a_100000210257_100000708592 [0,1,0,0,0,1|0,2,0]=4 3465 B12R1.105 CC(C)COCc1ccc(s1)Cl 34a_100000210257_100000185097 [0,1,0,0,0,1|0,2,0]=4 3466 B12R1.105 CC(C)CSCC1=CC(=O)OC1 62a_100000210624_100000716558 [0,1,0,0,0,1|2,0,0]=4 3467 B12R1.105 CC(C)CSCC1=CC(=O)OC1 62a_100000716558_100000210760 [0,1,0,0,0,1|2,0,0]=4 3468 B12R1.105 CC(C)CSCc1cc(cs1)Br 62a_100000210624_100000746031 [0,1,0,0,0,1|0,1,0]=3 3469 B12R1.105 CC(C)CSCc1cc(cs1)Br 62a_100000746031_100000210760 [0,1,0,0,0,1|0,1,0]=3 3470 B12R1.105 CC(C)CSCc1cc(no1)Br 62a_100000210624_100000709089 [0,1,0,0,0,1|1,0,0]=3 3471 B12R1.105 CC(C)CSCc1cc(no1)Br 62a_100000709089_100000210760 [0,1,0,0,0,1|1,0,0]=3 3472 B12R1.105 CC(C)CSCc1ccc(s1)Br 62a_100000210624_100000708592 [0,1,0,0,0,1|0,1,0]=3 3473 B12R1.105 CC(C)CSCc1ccc(s1)Br 62a_100000708592_100000210760 [0,1,0,0,0,1|0,1,0]=3 3474 B12R1.105 CC(C)CSCc1ccc(s1)Cl 62a_100000185097_100000210760 [0,1,0,0,0,1|0,1,0]=3 3475 B12R1.105 CC(C)CSCc1ccc(s1)Cl 62a_100000210624_100000185097 [0,1,0,0,0,1|0,1,0]=3 3476 B12R1.105 CC(C)CSCc1ccn(n1)C 62a_100000210624_100000726502 [0,1,0,0,0,1|2,0,0]=4 3477 B12R1.105 CC(C)CSCc1ccn(n1)C 62a_100000726502_100000210760 [0,1,0,0,0,1|2,0,0]=4 3478 B12R1.105 CC(C)CSCc1cn(cn1)C 62a_100000210624_100000717665 [0,1,0,0,0,1|2,0,0]=4 3479 B12R1.105 CC(C)CSCc1cn(cn1)C 62a_100000717665_100000210760 [0,1,0,0,0,1|2,0,0]=4 3480 B12R1.105 CC(C)CSCc1cnc(s1)Br 62a_100000210624_100000717027 [0,1,0,0,0,1|1,1,0]=4 3481 B12R1.105 CC(C)CSCc1cnc(s1)Br 62a_100000717027_100000210760 [0,1,0,0,0,1|1,1,0]=4 3482 B12R1.105 CC(C)CSCc1cnc(s1)Cl 62a_100000058068_100000210760 [0,1,0,0,0,1|1,1,0]=4 3483 B12R1.105 CC(C)CSCc1cnc(s1)Cl 62a_100000210624_100000058068 [0,1,0,0,0,1|1,1,0]=4 3484 B12R1.105 CC(C)CSCc1csc(n1)Cl 62a_100000024076_100000210760 [0,1,0,0,0,1|2,0,0]=4 3485 B12R1.105 CC(C)CSCc1csc(n1)Cl 62a_100000210624_100000024076 [0,1,0,0,0,1|2,0,0]=4 3486 B12R1.105 CC(C)NCCc1ccc(s1)Br 2230a_100000217605_100000210206 [0,1,0,0,0,1|1,1,0]=4 3487 B12R1.105 CC(C)NN=Cc1cc(co1)Br 4a_100000741168_100000747035 [0,1,0,0,0,1|1,0,1]=4 3488 B12R1.105 CC(C)NN=Cc1ccc(o1)Br 4a_100000741168_100000185145 [0,1,0,0,0,1|1,0,1]=4 3489 B12R1.105 CC(C)NN=Cc1ccc(o1)Cl 4a_100000741168_100000188459 [0,1,0,0,0,1|1,0,1]=4 3490 B12R1.105 CC(C)NN=Cc1ccc(o1)I 4a_100000741168_100000186757 [0,1,0,0,0,1|1,0,1]=4 3491 B12R1.105 CC(C)OCCc1cc(no1)Br 34a_100009816916_100000210206 [0,1,0,0,0,1|1,1,0]=4 3492 B12R1.105 CC(C)OCSc1ccc(s1)Br 62a_100000709892_100010197418 [0,1,0,0,0,1|0,2,0]=4 3493 B12R1.105 CC(C)OCSc1ccc(s1)Br 62a_100010197418_100000709892 [0,1,0,0,0,1|0,2,0]=4 3494 B12R1.105 CC(C)SCCn1cc(cn1)Cl 62a_100000210206_100011353933 [0,1,0,0,0,1|2,0,0]=4 3495 B12R1.105 CC(C)SCCn1cc(cn1)Cl 62a_100011353933_100000210206 [0,1,0,0,0,1|2,0,0]=4 3496 B12R1.105 CC(O)CNCc1cc(co1)Br 270004a_100000210904_100000747035 [0,1,0,0,0,1|2,0,0]=4 3497 B12R1.105 CC(O)CNCc1ccc(o1)Br 207a_100000210904_100000185145 [0,1,0,0,0,1|2,0,0]=4 3498 B12R1.105 CC(O)CNCc1ccc(o1)Br 270004a_100000210904_100000185145 [0,1,0,0,0,1|2,0,0]=4 3499 B12R1.105 CC(O)CNCc1ccc(o1)Br 34a_100000708654_100011218427 [0,1,0,0,0,1|2,0,0]=4 3500 B12R1.105 CC(O)CNCc1ccc(o1)Cl 207a_100000210904_100000188459 [0,1,0,0,0,1|2,0,0]=4 3501 B12R1.105 CC(O)CNCc1ccc(o1)Cl 270004a_100000210904_100000188459 [0,1,0,0,0,1|2,0,0]=4 3502 B12R1.105 CC(O)CNCc1ccc(o1)I 207a_100000210904_100000186757 [0,1,0,0,0,1|2,0,0]=4 3503 B12R1.105 CC(O)COCc1ccc(o1)Br 34a_100000246276_100011218427 [0,1,0,0,0,1|1,1,0]=4 3504 B12R1.105 CC(O)COCc1ccc(o1)Br 7a_100000246276_100011218427 [0,1,0,0,0,1|1,1,0]=4 3505 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100000746031_100011218427 [0,1,0,0,0,1|1,1,0]=4 3506 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100011218427_100000746031 [0,1,0,0,0,1|1,1,0]=4 3507 B12R1.105 CC(O)CSCc1cc(no1)Br 62a_100000709089_100011218427 [0,1,0,0,0,1|2,0,0]=4 3508 B12R1.105 CC(O)CSCc1cc(no1)Br 62a_100011218427_100000709089 [0,1,0,0,0,1|2,0,0]=4 3509 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100000708592_100011218427 [0,1,0,0,0,1|1,1,0]=4 3510 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100011218427_100000708592 [0,1,0,0,0,1|1,1,0]=4 3511 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100000185097_100011218427 [0,1,0,0,0,1|1,1,0]=4 3512 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100011218427_100000185097 [0,1,0,0,0,1|1,1,0]=4 3513 B12R1.105 C[C@@H](O)CNCc1ccc(o1)Br 34a_100000708654_100009817552 [0,1,0,0,0,1|2,0,0]=4 3514 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 34a_100000246276_100009817552 [0,1,0,0,0,1|1,1,0]=4 3515 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 7a_100000246276_100009817552 [0,1,0,0,0,1|1,1,0]=4 3516 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100000746031_100009817552 [0,1,0,0,0,1|1,1,0]=4 3517 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100009817552_100000746031 [0,1,0,0,0,1|1,1,0]=4 3518 B12R1.105 C[C@@H](O)CSCc1cc(no1)Br 62a_100000709089_100009817552 [0,1,0,0,0,1|2,0,0]=4 3519 B12R1.105 C[C@@H](O)CSCc1cc(no1)Br 62a_100009817552_100000709089 [0,1,0,0,0,1|2,0,0]=4 3520 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100000708592_100009817552 [0,1,0,0,0,1|1,1,0]=4 3521 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100009817552_100000708592 [0,1,0,0,0,1|1,1,0]=4 3522 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100000185097_100009817552 [0,1,0,0,0,1|1,1,0]=4 3523 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100009817552_100000185097 [0,1,0,0,0,1|1,1,0]=4 3524 B12R1.105 Cc1cc(no1)CSCC(C)C 62a_100000199038_100000210760 [0,1,0,0,0,1|2,0,0]=4 3525 B12R1.105 Cc1cc(no1)CSCC(C)C 62a_100000210624_100000199038 [0,1,0,0,0,1|2,0,0]=4 3526 B12R1.105 Cc1cc(on1)CNCC(C)C 207a_100000210953_100011794430 [0,1,0,0,0,1|2,0,0]=4 3527 B12R1.105 Cc1cc(on1)CNCC(C)C 2230a_100000210953_100000707947 [0,1,0,0,0,1|2,0,0]=4 3528 B12R1.105 Cc1cc(on1)CNCC(C)C 2230a_100000745748_100000210760 [0,1,0,0,0,1|2,0,0]=4 3529 B12R1.105 Cc1cc(on1)CNCC(C)C 270004a_100000210953_100011794430 [0,1,0,0,0,1|2,0,0]=4 3530 B12R1.105 Cc1cc(on1)CNCC(C)C 270004a_100000745748_100000210432 [0,1,0,0,0,1|2,0,0]=4 3531 B12R1.105 Cc1cc(on1)CNCC(C)C 34a_100000210953_100000707947 [0,1,0,0,0,1|2,0,0]=4 3532 B12R1.105 Cc1cc(on1)CNCC(C)C 34a_100000745748_100000210624 [0,1,0,0,0,1|2,0,0]=4 3533 B12R1.105 Cc1cc(on1)COCC(C)C 34a_100000210257_100000707947 [0,1,0,0,0,1|1,1,0]=4 3534 B12R1.105 Cc1cc(on1)COCC(C)C 34a_100000684692_100000210624 [0,1,0,0,0,1|1,1,0]=4 3535 B12R1.105 Cc1cc(on1)CSCC(C)C 62a_100000210624_100000707947 [0,1,0,0,0,1|1,0,0]=3 3536 B12R1.105 Cc1cc(on1)CSCC(C)C 62a_100000707947_100000210760 [0,1,0,0,0,1|1,0,0]=3 3537 B12R1.105 Cc1cc(on1)CSCC(C)O 62a_100000707947_100011218427 [0,1,0,0,0,1|2,0,0]=4 3538 B12R1.105 Cc1cc(on1)CSCC(C)O 62a_100011218427_100000707947 [0,1,0,0,0,1|2,0,0]=4 3539 B12R1.105 Cc1cc(on1)CSC[C@@H](C)O 62a_100000707947_100009817552 [0,1,0,0,0,1|2,0,0]=4 3540 B12R1.105 Cc1cc(on1)CSC[C@@H](C)O 62a_100009817552_100000707947 [0,1,0,0,0,1|2,0,0]=4 3541 B12R1.105 Cc1ccc(o1)C=NNC(C)C 4a_100000741168_100000183696 [0,1,0,0,0,1|1,0,1]=4 3542 B12R1.105 Cc1ccc(o1)CCNC(C)C 2230a_100000739271_100000210206 [0,1,0,0,0,1|1,0,0]=3 3543 B12R1.105 Cc1ccc(o1)CCNC(C)C 34a_100000739271_100000210206 [0,1,0,0,0,1|1,0,0]=3 3544 B12R1.105 Cc1ccc(o1)CCOC(C)C 34a_100012161071_100000210206 [0,1,0,0,0,1|0,1,0]=3 3545 B12R1.105 Cc1ccc(o1)CCOC(C)C 7a_100012161071_100000210206 [0,1,0,0,0,1|0,1,0]=3 3546 B12R1.105 Cc1ccc(o1)CNCC(C)C 207a_100000210953_100000183696 [0,1,0,0,0,1|1,0,0]=3 3547 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100000210953_100000183696 [0,1,0,0,0,1|1,0,0]=3 3548 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100011194323_100000210432 [0,1,0,0,0,1|1,0,0]=3 3549 B12R1.105 Cc1ccc(o1)CNCC(C)C 34a_100011194323_100000210624 [0,1,0,0,0,1|1,0,0]=3 3550 B12R1.105 Cc1ccc(o1)CNCC(C)O 207a_100000210904_100000183696 [0,1,0,0,0,1|2,0,0]=4 3551 B12R1.105 Cc1ccc(o1)CNCC(C)O 270004a_100000210904_100000183696 [0,1,0,0,0,1|2,0,0]=4 3552 B12R1.105 Cc1ccc(o1)CNCC(C)O 34a_100011194323_100011218427 [0,1,0,0,0,1|2,0,0]=4 3553 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O 34a_100011194323_100009817552 [0,1,0,0,0,1|2,0,0]=4 3554 B12R1.105 Cc1ccc(o1)COCC(C)C 34a_100011232665_100000210624 [0,1,0,0,0,1|0,1,0]=3 3555 B12R1.105 Cc1ccc(o1)COCC(C)C 7a_100011232665_100000210760 [0,1,0,0,0,1|0,1,0]=3 3556 B12R1.105 Cc1ccc(o1)COCC(C)O 34a_100011232665_100011218427 [0,1,0,0,0,1|1,1,0]=4 3557 B12R1.105 Cc1ccc(o1)COCC(C)O 7a_100011232665_100011218427 [0,1,0,0,0,1|1,1,0]=4 3558 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 34a_100011232665_100009817552 [0,1,0,0,0,1|1,1,0]=4 3559 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 7a_100011232665_100009817552 [0,1,0,0,0,1|1,1,0]=4 3560 B12R1.105 Cc1ccc(s1)CNCC(C)C 207a_100000210953_100000211121 [0,1,0,0,0,1|1,1,0]=4 3561 B12R1.105 Cc1ccc(s1)CNCC(C)C 2230a_100000238518_100000210760 [0,1,0,0,0,1|1,1,0]=4 3562 B12R1.105 Cc1ccc(s1)CNCC(C)C 270004a_100000210953_100000211121 [0,1,0,0,0,1|1,1,0]=4 3563 B12R1.105 Cc1ccc(s1)CNCC(C)C 270004a_100000238518_100000210432 [0,1,0,0,0,1|1,1,0]=4 3564 B12R1.105 Cc1ccc(s1)COCC(C)C 34a_100000238367_100000210624 [0,1,0,0,0,1|0,2,0]=4 3565 B12R1.105 Cc1ccc(s1)SCCC(C)C 62a_100000031368_100000210312 [0,1,0,0,0,1|1,1,0]=4 3566 B12R1.105 Cc1ccc(s1)SCCC(C)C 62a_100000210312_100000031368 [0,1,0,0,0,1|1,1,0]=4 3567 B12R1.105 Cc1ccc(s1)SCOC(C)C 62a_100000031368_100000709892 [0,1,0,0,0,1|0,2,0]=4 3568 B12R1.105 Cc1ccc(s1)SCOC(C)C 62a_100000709892_100000031368 [0,1,0,0,0,1|0,2,0]=4 3569 B12R1.105 Cc1ccn(n1)CCSC(C)C 62a_100000210206_200011934056 [0,1,0,0,0,1|2,0,0]=4 3570 B12R1.105 Cc1ccn(n1)CCSC(C)C 62a_200011934056_100000210206 [0,1,0,0,0,1|2,0,0]=4 3571 B12R1.105 Cc1cnc(o1)CNCC(C)C 2230a_100138411809_100000210760 [0,1,0,0,0,1|2,0,0]=4 3572 B12R1.105 Cc1cnc(o1)CNCC(C)C 34a_100138411809_100000210624 [0,1,0,0,0,1|2,0,0]=4 3573 B12R1.105 Cc1csc(c1)CNCC(C)C 207a_100000210953_100102525248 [0,1,0,0,0,1|1,1,0]=4 3574 B12R1.105 Cc1csc(c1)CNCC(C)C 2230a_100015204214_100000210760 [0,1,0,0,0,1|1,1,0]=4 3575 B12R1.105 Cc1csc(c1)CNCC(C)C 270004a_100000210953_100102525248 [0,1,0,0,0,1|1,1,0]=4 3576 B12R1.105 Cc1csc(c1)CNCC(C)C 270004a_100015204214_100000210432 [0,1,0,0,0,1|1,1,0]=4 3577 B12R1.105 Cc1csc(c1)CNCC(C)C 34a_100015204214_100000210624 [0,1,0,0,0,1|1,1,0]=4 3578 B12R1.105 Cc1csc(c1)COCC(C)C 34a_200000068372_100000210624 [0,1,0,0,0,1|0,2,0]=4 3579 B12R1.105 Cc1csc(c1)COCC(C)C 7a_200000068372_100000210760 [0,1,0,0,0,1|0,2,0]=4 3580 B12R1.105 Cc1csc(c1)SCCC(C)C 62a_100000210312_100009876951 [0,1,0,0,0,1|1,1,0]=4 3581 B12R1.105 Cc1csc(c1)SCCC(C)C 62a_100009876951_100000210312 [0,1,0,0,0,1|1,1,0]=4 3582 B12R1.105 Cc1csc(c1)SCOC(C)C 62a_100000709892_100009876951 [0,1,0,0,0,1|0,2,0]=4 3583 B12R1.105 Cc1csc(c1)SCOC(C)C 62a_100009876951_100000709892 [0,1,0,0,0,1|0,2,0]=4 3584 B12R1.105 Cc1nc(cs1)CCSC(C)C 62a_100000210206_100000695623 [0,1,0,0,0,1|2,0,0]=4 3585 B12R1.105 Cc1nc(cs1)CCSC(C)C 62a_100000695623_100000210206 [0,1,0,0,0,1|2,0,0]=4 3586 B12R1.105 Cc1nc(cs1)CSCC(C)C 62a_100000210624_100015186478 [0,1,0,0,0,1|2,0,0]=4 3587 B12R1.105 Cc1nc(cs1)CSCC(C)C 62a_100015186478_100000210760 [0,1,0,0,0,1|2,0,0]=4 3588 B12R1.105 Cc1ncc(o1)CNCC(C)C 207a_100000210953_100000084308 [0,1,0,0,0,1|2,0,0]=4 3589 B12R1.105 Cc1ncc(o1)CNCC(C)C 270004a_100000210953_100000084308 [0,1,0,0,0,1|2,0,0]=4 3590 B12R1.105 Cc1ncc(s1)CSCC(C)C 62a_100000210624_100020635045 [0,1,0,0,0,1|1,1,0]=4 3591 B12R1.105 Cc1ncc(s1)CSCC(C)C 62a_100020635045_100000210760 [0,1,0,0,0,1|1,1,0]=4 3592 B12R1.105 Cc1nnc(o1)CSCC(C)C 62a_100000181450_100000210760 [0,1,0,0,0,1|2,0,0]=4 3593 B12R1.105 Cc1nnc(o1)CSCC(C)C 62a_100000210624_100000181450 [0,1,0,0,0,1|2,0,0]=4 3594 B12R1.105 Cc1noc(n1)CSCC(C)C 62a_100000210624_100000735555 [0,1,0,0,0,1|2,0,0]=4 3595 B12R1.105 Cc1noc(n1)CSCC(C)C 62a_100000735555_100000210760 [0,1,0,0,0,1|2,0,0]=4 3596 B12R1.130 CC(C)CCSc1sccc1Br 62a_100000210312_100012361411 [0,1,0,0,0,1|1,1,0]=4 3597 B12R1.130 CC(C)CCSc1sccc1Br 62a_100012361411_100000210312 [0,1,0,0,0,1|1,1,0]=4 3598 B12R1.130 CC(C)CNCc1cccn1C 270004a_100000210953_100000211633 [0,1,0,0,0,1|2,0,0]=4 3599 B12R1.130 CC(C)CNCc1cccn1C 34a_100011219357_100000210624 [0,1,0,0,0,1|2,0,0]=4 3600 B12R1.130 CC(C)CNCc1occc1Br 270004a_100000210953_100000756499 [0,1,0,0,0,1|1,0,0]=3 3601 B12R1.130 CC(C)CNCc1sccc1Br 207a_100000210953_100000766043 [0,1,0,0,0,1|1,1,0]=4 3602 B12R1.130 CC(C)CNCc1sccc1Br 270004a_100000210953_100000766043 [0,1,0,0,0,1|1,1,0]=4 3603 B12R1.130 CC(C)CNCc1sccc1Cl 207a_100000210953_100000722334 [0,1,0,0,0,1|1,1,0]=4 3604 B12R1.130 CC(C)CNCc1sccc1Cl 2230a_100011934584_100000210760 [0,1,0,0,0,1|1,1,0]=4 3605 B12R1.130 CC(C)CNCc1sccc1Cl 270004a_100000210953_100000722334 [0,1,0,0,0,1|1,1,0]=4 3606 B12R1.130 CC(C)CNCc1sccc1Cl 270004a_100011934584_100000210432 [0,1,0,0,0,1|1,1,0]=4 3607 B12R1.130 CC(C)CNCc1sccc1Cl 34a_100011934584_100000210624 [0,1,0,0,0,1|1,1,0]=4 3608 B12R1.130 CC(C)COCc1sccc1Br 34a_100000702026_100000210624 [0,1,0,0,0,1|0,2,0]=4 3609 B12R1.130 CC(C)COCc1sccc1Cl 34a_100000722387_100000210624 [0,1,0,0,0,1|0,2,0]=4 3610 B12R1.130 CC(C)COCc1sccc1Cl 7a_100000722387_100000210760 [0,1,0,0,0,1|0,2,0]=4 3611 B12R1.130 CC(C)CSCc1ccnn1C 62a_100000210624_100000691648 [0,1,0,0,0,1|2,0,0]=4 3612 B12R1.130 CC(C)CSCc1ccnn1C 62a_100000691648_100000210760 [0,1,0,0,0,1|2,0,0]=4 3613 B12R1.130 CC(C)CSCc1ccsc1Br 62a_100000210624_100009814289 [0,1,0,0,0,1|2,0,0]=4 3614 B12R1.130 CC(C)CSCc1ccsc1Br 62a_100009814289_100000210760 [0,1,0,0,0,1|2,0,0]=4 3615 B12R1.130 CC(C)CSCc1ccsc1Cl 62a_100000210624_100010167017 [0,1,0,0,0,1|2,0,0]=4 3616 B12R1.130 CC(C)CSCc1ccsc1Cl 62a_100010167017_100000210760 [0,1,0,0,0,1|2,0,0]=4 3617 B12R1.130 CC(C)CSCc1nccn1C 62a_100000210624_100000700302 [0,1,0,0,0,1|2,0,0]=4 3618 B12R1.130 CC(C)CSCc1nccn1C 62a_100000700302_100000210760 [0,1,0,0,0,1|2,0,0]=4 3619 B12R1.130 CC(C)NCCc1cccn1C 2230a_100011251756_100000210206 [0,1,0,0,0,1|2,0,0]=4 3620 B12R1.130 CC(C)NCCc1cccn1C 34a_100011251756_100000210206 [0,1,0,0,0,1|2,0,0]=4 3621 B12R1.130 CC(C)NN=Cc1occc1Br 4a_100000741168_100000756499 [0,1,0,0,0,1|1,0,1]=4 3622 B12R1.130 CC(C)OCSc1sccc1Br 62a_100000709892_100012361411 [0,1,0,0,0,1|0,2,0]=4 3623 B12R1.130 CC(C)OCSc1sccc1Br 62a_100012361411_100000709892 [0,1,0,0,0,1|0,2,0]=4 3624 B12R1.130 CC(O)CNCc1occc1Br 270004a_100000210904_100000756499 [0,1,0,0,0,1|2,0,0]=4 3625 B12R1.130 Cc1[nH]cnc1CSCC(C)C 62a_100000210624_100000751220 [0,1,0,0,0,1|2,0,0]=4 3626 B12R1.130 Cc1[nH]cnc1CSCC(C)C 62a_100000751220_100000210760 [0,1,0,0,0,1|2,0,0]=4 3627 B12R1.130 Cc1ccnn1CCSC(C)C 62a_100000210206_100011934269 [0,1,0,0,0,1|2,0,0]=4 3628 B12R1.130 Cc1ccnn1CCSC(C)C 62a_100011934269_100000210206 [0,1,0,0,0,1|2,0,0]=4 3629 B12R1.130 Cc1ccoc1C=NNC(C)C 4a_100000741168_100000763527 [0,1,0,0,0,1|1,0,1]=4 3630 B12R1.130 Cc1ccoc1CNCC(C)C 207a_100000210953_100000763527 [0,1,0,0,0,1|1,0,0]=3 3631 B12R1.130 Cc1ccoc1CNCC(C)C 270004a_100000210953_100000763527 [0,1,0,0,0,1|1,0,0]=3 3632 B12R1.130 Cc1ccoc1CNCC(C)O 207a_100000210904_100000763527 [0,1,0,0,0,1|2,0,0]=4 3633 B12R1.130 Cc1ccoc1CNCC(C)O 270004a_100000210904_100000763527 [0,1,0,0,0,1|2,0,0]=4 3634 B12R1.130 Cc1ccoc1COCC(C)C 34a_100011273948_100000210624 [0,1,0,0,0,1|0,1,0]=3 3635 B12R1.130 Cc1ccoc1COCC(C)C 7a_100011273948_100000210760 [0,1,0,0,0,1|0,1,0]=3 3636 B12R1.130 Cc1ccoc1COCC(C)O 34a_100011273948_100011218427 [0,1,0,0,0,1|1,1,0]=4 3637 B12R1.130 Cc1ccoc1COCC(C)O 7a_100011273948_100011218427 [0,1,0,0,0,1|1,1,0]=4 3638 B12R1.130 Cc1ccoc1COC[C@@H](C)O 34a_100011273948_100009817552 [0,1,0,0,0,1|1,1,0]=4 3639 B12R1.130 Cc1ccoc1COC[C@@H](C)O 7a_100011273948_100009817552 [0,1,0,0,0,1|1,1,0]=4 3640 B12R1.130 Cc1ccsc1CNCC(C)C 207a_100000210953_100000210881 [0,1,0,0,0,1|1,1,0]=4 3641 B12R1.130 Cc1ccsc1CNCC(C)C 2230a_100000238519_100000210760 [0,1,0,0,0,1|1,1,0]=4 3642 B12R1.130 Cc1ccsc1CNCC(C)C 270004a_100000210953_100000210881 [0,1,0,0,0,1|1,1,0]=4 3643 B12R1.130 Cc1ccsc1CNCC(C)C 270004a_100000238519_100000210432 [0,1,0,0,0,1|1,1,0]=4 3644 B12R1.130 Cc1ccsc1CNCC(C)C 34a_100000238519_100000210624 [0,1,0,0,0,1|1,1,0]=4 3645 B12R1.130 Cc1ccsc1COCC(C)C 34a_100000238368_100000210624 [0,1,0,0,0,1|0,2,0]=4 3646 B12R1.130 Cc1ccsc1COCC(C)C 7a_100000238368_100000210760 [0,1,0,0,0,1|0,2,0]=4 3647 B12R1.130 Cc1ccsc1SCCC(C)C 62a_100000210312_100010247149 [0,1,0,0,0,1|1,1,0]=4 3648 B12R1.130 Cc1ccsc1SCCC(C)C 62a_100010247149_100000210312 [0,1,0,0,0,1|1,1,0]=4 3649 B12R1.130 Cc1ccsc1SCOC(C)C 62a_100000709892_100010247149 [0,1,0,0,0,1|0,2,0]=4 3650 B12R1.130 Cc1ccsc1SCOC(C)C 62a_100010247149_100000709892 [0,1,0,0,0,1|0,2,0]=4 3651 B12R1.130 Cc1cnoc1COCC(C)C 34a_200011065769_100000210624 [0,1,0,0,0,1|1,1,0]=4 3652 B12R1.130 Cc1ncoc1COCC(C)C 34a_100000717716_100000210624 [0,1,0,0,0,1|1,1,0]=4 3653 B12R1.130 Cc1ncoc1COCC(C)C 7a_100000717716_100000210760 [0,1,0,0,0,1|1,1,0]=4 3654 B12R1.130 Cc1ncsc1CCSC(C)C 62a_100000057103_100000210206 [0,1,0,0,0,1|1,1,0]=4 3655 B12R1.130 Cc1ncsc1CCSC(C)C 62a_100000210206_100000057103 [0,1,0,0,0,1|1,1,0]=4 3656 B12R1.130 Cc1ocnc1CSCC(C)C 62a_100000210624_200000693990 [0,1,0,0,0,1|2,0,0]=4 3657 B12R1.130 Cc1ocnc1CSCC(C)C 62a_200000693990_100000210760 [0,1,0,0,0,1|2,0,0]=4 3658 B12R1.260 CC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210624 [0,1,0,0,0,1|2,0,0]=4 3659 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,1,0,0,0,1|1,0,0]=3 3660 B12R1.260 CC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000210624 [0,1,0,0,0,1|1,1,0]=4 3661 B12R1.260 CC(C)CC(=O)Cc1ncco1 1458a_100000210554_103436540062 [0,1,0,0,0,1|2,0,0]=4 3662 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100000731052_100009814098 [0,1,0,0,0,1|1,0,0]=3 3663 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100009814098_100000731052 [0,1,0,0,0,1|1,0,0]=3 3664 B12R1.260 CC(C)CC(C)Sc1cccs1 62a_100000731052_100011215356 [0,1,0,0,0,1|1,1,0]=4 3665 B12R1.260 CC(C)CC(C)Sc1cccs1 62a_100011215356_100000731052 [0,1,0,0,0,1|1,1,0]=4 3666 B12R1.260 CC(C)CC(C)Sc1cnco1 62a_100000731052_100020591547 [0,1,0,0,0,1|2,0,0]=4 3667 B12R1.260 CC(C)CC(C)Sc1cnco1 62a_100020591547_100000731052 [0,1,0,0,0,1|2,0,0]=4 3668 B12R1.260 CC(C)CC(C)Sc1ncco1 62a_100000731052_100011787736 [0,1,0,0,0,1|2,0,0]=4 3669 B12R1.260 CC(C)CC(C)Sc1ncco1 62a_100011787736_100000731052 [0,1,0,0,0,1|2,0,0]=4 3670 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000185268_100000210760 [0,1,0,0,0,1|1,0,0]=3 3671 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000200082_200000210301 [0,1,0,0,0,1|1,0,0]=3 3672 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000185268_100000210624 [0,1,0,0,0,1|1,0,0]=3 3673 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000200082_200000210301 [0,1,0,0,0,1|1,0,0]=3 3674 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000185268_100000210432 [0,1,0,0,0,1|1,0,0]=3 3675 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000747067_100000186105 [0,1,0,0,0,1|1,0,0]=3 3676 B12R1.260 CC(C)CN(C)Cc1cccs1 2230a_100000184426_100000210760 [0,1,0,0,0,1|1,1,0]=4 3677 B12R1.260 CC(C)CN(C)Cc1cccs1 2230a_100015187147_200000210301 [0,1,0,0,0,1|1,1,0]=4 3678 B12R1.260 CC(C)CN(C)Cc1cccs1 269982a_100000184426_100000210624 [0,1,0,0,0,1|1,1,0]=4 3679 B12R1.260 CC(C)CN(C)Cc1cccs1 269982a_100015187147_200000210301 [0,1,0,0,0,1|1,1,0]=4 3680 B12R1.260 CC(C)CN(C)Cc1cccs1 270004a_100000184426_100000210432 [0,1,0,0,0,1|1,1,0]=4 3681 B12R1.260 CC(C)CN(C)Cc1cccs1 270004a_100000747067_100000209959 [0,1,0,0,0,1|1,1,0]=4 3682 B12R1.260 CC(C)CN(C)Cc1cnco1 270004a_100000747067_100000064291 [0,1,0,0,0,1|2,0,0]=4 3683 B12R1.260 CC(C)CN(C)Cc1ncco1 2230a_100000747067_103436540062 [0,1,0,0,0,1|2,0,0]=4 3684 B12R1.260 CC(C)CN(C)Cc1ncco1 269982a_100000747067_103436540062 [0,1,0,0,0,1|2,0,0]=4 3685 B12R1.260 CC(C)CN(C)Cc1ncco1 270004a_100000747067_100000064290 [0,1,0,0,0,1|2,0,0]=4 3686 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 2230a_100000200082_200025704644 [0,1,0,0,0,1|1,0,0]=3 3687 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 269982a_100000200082_200025704644 [0,1,0,0,0,1|1,0,0]=3 3688 B12R1.260 CC(C)CN([13CH3])Cc1cccs1 2230a_100015187147_200025704644 [0,1,0,0,0,1|1,1,0]=4 3689 B12R1.260 CC(C)CN([13CH3])Cc1cccs1 269982a_100015187147_200025704644 [0,1,0,0,0,1|1,1,0]=4 3690 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 11a_100138425928_100000238377 [0,1,0,0,0,1|2,0,0]=4 3691 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 240690a_100138425928_100000238377 [0,1,0,0,0,1|2,0,0]=4 3692 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 527a_100138425928_100000238377 [0,1,0,0,0,1|2,0,0]=4 3693 B12R1.260 CC(C)NC(=O)Cc1ccco1 11a_100138425928_100011217309 [0,1,0,0,0,1|1,0,0]=3 3694 B12R1.260 CC(C)NC(=O)Cc1ccco1 527a_100138425928_100011217309 [0,1,0,0,0,1|1,0,0]=3 3695 B12R1.260 CC(C)NC(=O)Cc1cccs1 11a_100138425928_100000210189 [0,1,0,0,0,1|1,1,0]=4 3696 B12R1.260 CC(C)NC(=O)Cc1cccs1 1626a_100138425928_100000210189 [0,1,0,0,0,1|1,1,0]=4 3697 B12R1.260 CC(C)NC(=O)Cc1cccs1 240690a_100138425928_100000210189 [0,1,0,0,0,1|1,1,0]=4 3698 B12R1.260 CC(C)NC(C)Cc1cccs1 2230a_100000751415_100000210206 [0,1,0,0,0,1|1,1,0]=4 3699 B12R1.260 CC(C)OC(C)Cc1ccco1 34a_100011803939_100000210206 [0,1,0,0,0,1|0,1,0]=3 3700 B12R1.260 CC(C)OC(C)Cc1ccco1 7a_100011803939_100000210206 [0,1,0,0,0,1|0,1,0]=3 3701 B12R1.260 CC(CN(C)C)Sc1ccco1 62a_100009814098_100020606517 [0,1,0,0,0,1|2,0,0]=4 3702 B12R1.260 CC(CN(C)C)Sc1ccco1 62a_100020606517_100009814098 [0,1,0,0,0,1|2,0,0]=4 3703 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,1,0,0,0,1|2,0,0]=4 3704 B12R1.260 CC(O)CN(C)Cc1ccco1 2230a_100000185268_100011218427 [0,1,0,0,0,1|2,0,0]=4 3705 B12R1.260 CC(O)CN(C)Cc1ccco1 269982a_100000185268_100011218427 [0,1,0,0,0,1|2,0,0]=4 3706 B12R1.260 CC(O)CN(C)Cc1ccco1 270004a_100000227577_100000186105 [0,1,0,0,0,1|2,0,0]=4 3707 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 2230a_100000185268_100009817552 [0,1,0,0,0,1|2,0,0]=4 3708 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 269982a_100000185268_100009817552 [0,1,0,0,0,1|2,0,0]=4 3709 B12R1.264 CC(C)C(=O)CCc1ccc[nH]1 1458a_200011998680_100000210206 [0,1,0,0,0,1|2,0,0]=4 3710 B12R1.264 CC(C)C(=O)CCc1ccco1 1458a_100000185103_100000210206 [0,1,0,0,0,1|1,0,0]=3 3711 B12R1.264 CC(C)C(=O)CCc1cccs1 1458a_100000185280_100000210206 [0,1,0,0,0,1|1,1,0]=4 3712 B12R1.264 CC(C)C(=O)CCc1cccs1 1458a_100000210198_100000748579 [0,1,0,0,0,1|1,1,0]=4 3713 B12R1.264 CC(C)C(=O)CSc1ccco1 62a_100000753385_100009814098 [0,1,0,0,0,1|1,0,0]=3 3714 B12R1.264 CC(C)C(=O)CSc1ccco1 62a_100009814098_100000753385 [0,1,0,0,0,1|1,0,0]=3 3715 B12R1.264 CC(C)C(=O)CSc1cccs1 62a_100000753385_100011215356 [0,1,0,0,0,1|1,1,0]=4 3716 B12R1.264 CC(C)C(=O)CSc1cccs1 62a_100011215356_100000753385 [0,1,0,0,0,1|1,1,0]=4 3717 B12R1.264 CC(C)C(=O)CSc1cnco1 62a_100000753385_100020591547 [0,1,0,0,0,1|2,0,0]=4 3718 B12R1.264 CC(C)C(=O)CSc1cnco1 62a_100020591547_100000753385 [0,1,0,0,0,1|2,0,0]=4 3719 B12R1.264 CC(C)C(=O)CSc1ncco1 62a_100000753385_100011787736 [0,1,0,0,0,1|2,0,0]=4 3720 B12R1.264 CC(C)C(=O)CSc1ncco1 62a_100011787736_100000753385 [0,1,0,0,0,1|2,0,0]=4 3721 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 11a_100000764082_100000210198 [0,1,0,0,0,1|2,0,0]=4 3722 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 240690a_100000764082_100000210198 [0,1,0,0,0,1|2,0,0]=4 3723 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 527a_100000764082_100000210198 [0,1,0,0,0,1|2,0,0]=4 3724 B12R1.264 CC(C)C(=O)NCc1ccco1 11a_100000185738_100000210198 [0,1,0,0,0,1|1,0,0]=3 3725 B12R1.264 CC(C)C(=O)NCc1ccco1 1626a_100000185738_100000210198 [0,1,0,0,0,1|1,0,0]=3 3726 B12R1.264 CC(C)C(=O)NCc1ccco1 240690a_100000185738_100000210198 [0,1,0,0,0,1|1,0,0]=3 3727 B12R1.264 CC(C)C(=O)NCc1ccco1 527a_100000185738_100000210198 [0,1,0,0,0,1|1,0,0]=3 3728 B12R1.264 CC(C)C(=O)NCc1cccs1 11a_100000211653_100000210198 [0,1,0,0,0,1|1,1,0]=4 3729 B12R1.264 CC(C)C(=O)NCc1cccs1 1626a_100000211653_100000210198 [0,1,0,0,0,1|1,1,0]=4 3730 B12R1.264 CC(C)C(=O)NCc1cccs1 240690a_100000211653_100000210198 [0,1,0,0,0,1|1,1,0]=4 3731 B12R1.264 CC(C)C(=O)NCc1cccs1 527a_100000211653_100000210198 [0,1,0,0,0,1|1,1,0]=4 3732 B12R1.264 CC(C)C(=O)NCc1cnco1 11a_100020634212_100000210198 [0,1,0,0,0,1|2,0,0]=4 3733 B12R1.264 CC(C)C(=O)NCc1cnco1 240690a_100020634212_100000210198 [0,1,0,0,0,1|2,0,0]=4 3734 B12R1.264 CC(C)C(=O)NCc1cnco1 527a_100020634212_100000210198 [0,1,0,0,0,1|2,0,0]=4 3735 B12R1.264 CC(C)C(=O)NCc1ncco1 11a_100016994969_100000210198 [0,1,0,0,0,1|2,0,0]=4 3736 B12R1.264 CC(C)C(=O)NCc1ncco1 1626a_100016994969_100000210198 [0,1,0,0,0,1|2,0,0]=4 3737 B12R1.264 CC(C)C(=O)NCc1ncco1 240690a_100016994969_100000210198 [0,1,0,0,0,1|2,0,0]=4 3738 B12R1.264 CC(C)C(=O)NCc1ncco1 527a_100016994969_100000210198 [0,1,0,0,0,1|2,0,0]=4 3739 B12R1.264 CC(C)C(C)NCc1ccco1 207a_100000211541_100000186105 [0,1,0,0,0,1|1,0,0]=3 3740 B12R1.264 CC(C)C(C)NCc1ccco1 270004a_100000211541_100000186105 [0,1,0,0,0,1|1,0,0]=3 3741 B12R1.264 CC(C)C(C)NCc1cccs1 207a_100000211541_100000209959 [0,1,0,0,0,1|1,1,0]=4 3742 B12R1.264 CC(C)C(C)NCc1cccs1 270004a_100000211541_100000209959 [0,1,0,0,0,1|1,1,0]=4 3743 B12R1.264 CC(C)C(C)NCc1cnco1 270004a_100000211541_100000064291 [0,1,0,0,0,1|2,0,0]=4 3744 B12R1.264 CC(C)C(C)NCc1ncco1 2230a_100000211541_103436540062 [0,1,0,0,0,1|2,0,0]=4 3745 B12R1.264 CC(C)C(C)NCc1ncco1 270004a_100000211541_100000064290 [0,1,0,0,0,1|2,0,0]=4 3746 B12R1.264 CC(C)C(C)OCc1ncco1 7a_100000748068_103436540062 [0,1,0,0,0,1|1,1,0]=4 3747 B12R1.264 CC(C)N(C)CCc1cccs1 269982a_200000211004_100000748579 [0,1,0,0,0,1|1,1,0]=4 3748 B12R1.264 CC(F)C(=O)NCc1ccco1 11a_100000185738_100000062450 [0,1,0,0,0,1|2,0,0]=4 3749 B12R1.264 CC(F)C(=O)NCc1ccco1 1626a_100000185738_100000062450 [0,1,0,0,0,1|2,0,0]=4 3750 B12R1.264 CC(F)C(=O)NCc1ccco1 240690a_100000185738_100000062450 [0,1,0,0,0,1|2,0,0]=4 3751 B12R1.264 CC(F)C(=O)NCc1ccco1 527a_100000185738_100000062450 [0,1,0,0,0,1|2,0,0]=4 3752 B12R1.264 CN(C)C(=O)CCc1ccco1 11a_100102631434_100000185103 [0,1,0,0,0,1|2,0,0]=4 3753 B12R1.264 CN(C)C(=O)CCc1ccco1 1626a_100102631434_100000185103 [0,1,0,0,0,1|2,0,0]=4 3754 B12R1.264 CN(C)C(=O)CCc1ccco1 271570a_200010232142_100009814098 [0,1,0,0,0,1|2,0,0]=4 3755 B12R1.264 CN(C)C(=O)CCc1ccco1 527a_100102631434_100000185103 [0,1,0,0,0,1|2,0,0]=4 3756 B12R1.264 CN(C)C(=O)CSc1ccco1 62a_100000692301_100009814098 [0,1,0,0,0,1|2,0,0]=4 3757 B12R1.264 CN(C)C(=O)CSc1ccco1 62a_100009814098_100000692301 [0,1,0,0,0,1|2,0,0]=4 3758 B12R1.264 CN(C)C(=O)NCc1ccco1 2708a_100000185738_100102631434 [0,1,0,0,0,1|2,0,0]=4 3759 B12R1.264 C[C@@H](O)C(=O)NCc1ccco1 240690a_100000185738_100000717761 [0,1,0,0,0,1|2,0,0]=4 3760 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 1626a_100000185738_217856618621 [0,1,0,0,0,1|2,0,0]=4 3761 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 240690a_100000185738_217856618621 [0,1,0,0,0,1|2,0,0]=4 3762 B12R1.477 C#CC(C)NCCc1ccco1 34a_100000694680_200000035995 [0,1,0,0,0,1|1,0,1]=4 3763 B12R1.477 C#CC(C)SCCc1cccs1 62a_200000035995_100000748579 [0,1,0,0,0,1|0,1,1]=4 3764 B12R1.477 C=CC(C)SCCc1cccs1 62a_100011215867_100000748579 [0,1,0,0,0,1|0,1,1]=4 3765 B12R1.477 CC(C#N)NCCc1ccco1 2230a_100000694680_100000184139 [0,1,0,0,0,1|1,0,1]=4 3766 B12R1.477 CC(C#N)SCCc1cccs1 62a_100000703298_100000748579 [0,1,0,0,0,1|0,1,1]=4 3767 B12R1.477 CC(C#N)SCCc1cccs1 62a_100000748579_100000703298 [0,1,0,0,0,1|0,1,1]=4 3768 B12R1.477 CC(CF)OCCc1cccs1 34a_100016041109_100000748579 [0,1,0,0,0,1|0,2,0]=4 3769 B12R1.477 CC(CF)OCCc1cccs1 7a_100016041109_100000748579 [0,1,0,0,0,1|0,2,0]=4 3770 B12R1.477 CC(CN)COCc1ncco1 34a_100000744482_103436540062 [0,1,0,0,0,1|1,1,0]=4 3771 B12R1.477 CC(CN)OCCc1cccs1 34a_100000210904_100000748579 [0,1,0,0,0,1|0,2,0]=4 3772 B12R1.477 CC(CO)CNCc1ccco1 207a_100000744482_100000186105 [0,1,0,0,0,1|1,0,0]=3 3773 B12R1.477 CC(CO)CNCc1cccs1 207a_100000744482_100000209959 [0,1,0,0,0,1|1,1,0]=4 3774 B12R1.477 CC(CO)CNCc1ncco1 34a_100000744482_103436540062 [0,1,0,0,0,1|2,0,0]=4 3775 B12R1.477 CC(CO)NCCc1ccco1 2230a_100000694680_100012180447 [0,1,0,0,0,1|1,0,0]=3 3776 B12R1.477 CC(CO)NCCc1ccco1 34a_100000694680_100012180447 [0,1,0,0,0,1|1,0,0]=3 3777 B12R1.477 CC(CO)NCCc1cccs1 2230a_100000203755_100012180447 [0,1,0,0,0,1|1,1,0]=4 3778 B12R1.477 CC(CO)NCCc1cccs1 34a_100000203755_100012180447 [0,1,0,0,0,1|1,1,0]=4 3779 B12R1.477 CC(CO)OCCc1cccs1 34a_100011216825_100012180447 [0,1,0,0,0,1|0,2,0]=4 3780 B12R1.477 CC(CO)OCCc1cccs1 7a_100011216825_100012180447 [0,1,0,0,0,1|0,2,0]=4 3781 B12R1.477 CC(CO)SCCc1c[nH]cn1 62a_100012180447_100020628418 [0,1,0,0,0,1|2,0,0]=4 3782 B12R1.477 CC(CO)SCCc1cccs1 62a_100012180447_100000748579 [0,1,0,0,0,1|0,1,0]=3 3783 B12R1.477 CC(CO)SCCn1cccc1 62a_100012180447_200000035178 [0,1,0,0,0,1|2,0,0]=4 3784 B12R1.477 CC(CO)SCCn1cccn1 62a_100012180447_100000685285 [0,1,0,0,0,1|2,0,0]=4 3785 B12R1.477 CCC(C)CNCc1ccco1 207a_100020588543_100000186105 [0,1,0,0,0,1|1,0,0]=3 3786 B12R1.477 CCC(C)CNCc1ccco1 2230a_100000185738_100000748023 [0,1,0,0,0,1|1,0,0]=3 3787 B12R1.477 CCC(C)CNCc1ccco1 270004a_100000185738_100000243153 [0,1,0,0,0,1|1,0,0]=3 3788 B12R1.477 CCC(C)CNCc1ccco1 270004a_100020588543_100000186105 [0,1,0,0,0,1|1,0,0]=3 3789 B12R1.477 CCC(C)CNCc1ccco1 34a_100000185738_100000748023 [0,1,0,0,0,1|1,0,0]=3 3790 B12R1.477 CCC(C)CNCc1cccs1 207a_100020588543_100000209959 [0,1,0,0,0,1|1,1,0]=4 3791 B12R1.477 CCC(C)CNCc1cccs1 2230a_100000211653_100000748023 [0,1,0,0,0,1|1,1,0]=4 3792 B12R1.477 CCC(C)CNCc1cccs1 270004a_100000211653_100000243153 [0,1,0,0,0,1|1,1,0]=4 3793 B12R1.477 CCC(C)CNCc1cccs1 270004a_100020588543_100000209959 [0,1,0,0,0,1|1,1,0]=4 3794 B12R1.477 CCC(C)CNCc1cnco1 270004a_100020588543_100000064291 [0,1,0,0,0,1|2,0,0]=4 3795 B12R1.477 CCC(C)CNCc1cnco1 270004a_100020634212_100000243153 [0,1,0,0,0,1|2,0,0]=4 3796 B12R1.477 CCC(C)CNCc1ncco1 2230a_100016994969_100000748023 [0,1,0,0,0,1|2,0,0]=4 3797 B12R1.477 CCC(C)CNCc1ncco1 2230a_100020588543_103436540062 [0,1,0,0,0,1|2,0,0]=4 3798 B12R1.477 CCC(C)CNCc1ncco1 270004a_100020588543_100000064290 [0,1,0,0,0,1|2,0,0]=4 3799 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [0,1,0,0,0,1|0,1,0]=3 3800 B12R1.477 CCC(C)COCc1cccs1 34a_100000211240_100000748023 [0,1,0,0,0,1|0,2,0]=4 3801 B12R1.477 CCC(C)COCc1ccno1 34a_100000740478_100000748023 [0,1,0,0,0,1|1,1,0]=4 3802 B12R1.477 CCC(C)COCc1ncco1 34a_100000062594_100000748023 [0,1,0,0,0,1|1,1,0]=4 3803 B12R1.477 CCC(C)CSCc1c[nH]cn1 62a_100000707719_100000748023 [0,1,0,0,0,1|2,0,0]=4 3804 B12R1.477 CCC(C)CSCc1c[nH]cn1 62a_100000748023_100000707719 [0,1,0,0,0,1|2,0,0]=4 3805 B12R1.477 CCC(C)CSCc1ccn[nH]1 62a_100000728653_100000748023 [0,1,0,0,0,1|2,0,0]=4 3806 B12R1.477 CCC(C)CSCc1ccn[nH]1 62a_100000748023_100000728653 [0,1,0,0,0,1|2,0,0]=4 3807 B12R1.477 CCC(C)CSCc1ccon1 62a_100000234950_100000748023 [0,1,0,0,0,1|2,0,0]=4 3808 B12R1.477 CCC(C)CSCc1ccon1 62a_100000748023_100000234950 [0,1,0,0,0,1|2,0,0]=4 3809 B12R1.477 CCC(C)CSCc1ccsc1 62a_100000748023_100011233845 [0,1,0,0,0,1|2,0,0]=4 3810 B12R1.477 CCC(C)CSCc1ccsc1 62a_100011261437_100000748023 [0,1,0,0,0,1|2,0,0]=4 3811 B12R1.477 CCC(C)CSCc1cncs1 62a_100000748023_100015185245 [0,1,0,0,0,1|1,1,0]=4 3812 B12R1.477 CCC(C)CSCc1cncs1 62a_100015185245_100000748023 [0,1,0,0,0,1|1,1,0]=4 3813 B12R1.477 CCC(C)CSCc1cscn1 62a_100000205941_100000748023 [0,1,0,0,0,1|2,0,0]=4 3814 B12R1.477 CCC(C)CSCc1cscn1 62a_100000748023_100000205941 [0,1,0,0,0,1|2,0,0]=4 3815 B12R1.477 CCC(C)CSCc1ncc[nH]1 62a_100000748023_100016991755 [0,1,0,0,0,1|2,0,0]=4 3816 B12R1.477 CCC(C)CSCc1ncc[nH]1 62a_100016991755_100000748023 [0,1,0,0,0,1|2,0,0]=4 3817 B12R1.477 CCC(C)CSCc1ncco1 62a_100000748023_103436540062 [0,1,0,0,0,1|1,0,0]=3 3818 B12R1.477 CCC(C)CSCc1ncco1 62a_103436540062_100000748023 [0,1,0,0,0,1|1,0,0]=3 3819 B12R1.477 CCC(C)CSCc1nccs1 62a_100000748023_100015184050 [0,1,0,0,0,1|1,1,0]=4 3820 B12R1.477 CCC(C)CSCc1nccs1 62a_100015184050_100000748023 [0,1,0,0,0,1|1,1,0]=4 3821 B12R1.477 CCC(C)NCCc1ccco1 2230a_100000694680_100000758301 [0,1,0,0,0,1|1,0,0]=3 3822 B12R1.477 CCC(C)NCCc1ccco1 34a_100000694680_100011215416 [0,1,0,0,0,1|1,0,0]=3 3823 B12R1.477 CCC(C)NCCc1cccs1 2230a_100000203755_100000758301 [0,1,0,0,0,1|1,1,0]=4 3824 B12R1.477 CCC(C)NCCc1cccs1 2230a_100000209981_100000748579 [0,1,0,0,0,1|1,1,0]=4 3825 B12R1.477 CCC(C)NCCc1cccs1 34a_100000203755_100011215416 [0,1,0,0,0,1|1,1,0]=4 3826 B12R1.477 CCC(C)NN=Cc1ccco1 4a_100000718999_100000186105 [0,1,0,0,0,1|1,0,1]=4 3827 B12R1.477 CCC(C)OCCc1cccs1 34a_100011216825_100011215416 [0,1,0,0,0,1|0,2,0]=4 3828 B12R1.477 CCC(C)OCCc1cccs1 7a_100000210228_100000748579 [0,1,0,0,0,1|0,2,0]=4 3829 B12R1.477 CCC(C)OCCc1cccs1 7a_100011216825_100000758301 [0,1,0,0,0,1|0,2,0]=4 3830 B12R1.477 CCC(C)SCCc1c[nH]cn1 62a_100000758301_100020628418 [0,1,0,0,0,1|2,0,0]=4 3831 B12R1.477 CCC(C)SCCc1c[nH]cn1 62a_100020628418_100000758301 [0,1,0,0,0,1|2,0,0]=4 3832 B12R1.477 CCC(C)SCCc1cccs1 62a_100000748579_100000758301 [0,1,0,0,0,1|0,1,0]=3 3833 B12R1.477 CCC(C)SCCc1cccs1 62a_100000758301_100000748579 [0,1,0,0,0,1|0,1,0]=3 3834 B12R1.477 CCC(C)SCCn1cccc1 62a_100000758301_200000035178 [0,1,0,0,0,1|2,0,0]=4 3835 B12R1.477 CCC(C)SCCn1cccc1 62a_200009811947_100000758301 [0,1,0,0,0,1|2,0,0]=4 3836 B12R1.477 CCC(C)SCCn1cccn1 62a_100000758301_100000685285 [0,1,0,0,0,1|2,0,0]=4 3837 B12R1.477 CCC(C)SCCn1cccn1 62a_100015204718_100000758301 [0,1,0,0,0,1|2,0,0]=4 3838 B12R1.477 CCC(O)CNCc1ccco1 207a_100011218483_100000186105 [0,1,0,0,0,1|2,0,0]=4 3839 B12R1.477 CCC(O)CNCc1ccco1 2230a_100000185738_100011218378 [0,1,0,0,0,1|2,0,0]=4 3840 B12R1.477 CCC(O)CNCc1ccco1 270004a_100011218483_100000186105 [0,1,0,0,0,1|2,0,0]=4 3841 B12R1.477 CCC(O)CNCc1ccco1 34a_100000185738_100011218378 [0,1,0,0,0,1|2,0,0]=4 3842 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [0,1,0,0,0,1|1,1,0]=4 3843 B12R1.477 CCC(O)CSCc1ncco1 62a_100011218378_103436540062 [0,1,0,0,0,1|2,0,0]=4 3844 B12R1.477 CCC(O)CSCc1ncco1 62a_103436540062_100011218378 [0,1,0,0,0,1|2,0,0]=4 3845 B12R1.477 CC[C@H](C)CNCc1ccco1 2230a_100000185738_100009816398 [0,1,0,0,0,1|1,0,0]=3 3846 B12R1.477 CC[C@H](C)CNCc1ccco1 34a_100000185738_100009816398 [0,1,0,0,0,1|1,0,0]=3 3847 B12R1.477 CC[C@H](C)CNCc1cccs1 2230a_100000211653_100009816398 [0,1,0,0,0,1|1,1,0]=4 3848 B12R1.477 CC[C@H](C)CNCc1ncco1 2230a_100016994969_100009816398 [0,1,0,0,0,1|2,0,0]=4 3849 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [0,1,0,0,0,1|0,1,0]=3 3850 B12R1.477 CC[C@H](C)COCc1cccs1 34a_100000211240_100009816398 [0,1,0,0,0,1|0,2,0]=4 3851 B12R1.477 CC[C@H](C)COCc1ccno1 34a_100000740478_100009816398 [0,1,0,0,0,1|1,1,0]=4 3852 B12R1.477 CC[C@H](C)COCc1ncco1 34a_100000062594_100009816398 [0,1,0,0,0,1|1,1,0]=4 3853 B12R1.477 CC[C@H](C)COCc1ncco1 7a_100009816381_103436540062 [0,1,0,0,0,1|1,1,0]=4 3854 B12R1.477 CC[C@H](C)CSCc1c[nH]cn1 62a_100000707719_100009816398 [0,1,0,0,0,1|2,0,0]=4 3855 B12R1.477 CC[C@H](C)CSCc1c[nH]cn1 62a_100009816398_100000707719 [0,1,0,0,0,1|2,0,0]=4 3856 B12R1.477 CC[C@H](C)CSCc1ccn[nH]1 62a_100000728653_100009816398 [0,1,0,0,0,1|2,0,0]=4 3857 B12R1.477 CC[C@H](C)CSCc1ccn[nH]1 62a_100009816398_100000728653 [0,1,0,0,0,1|2,0,0]=4 3858 B12R1.477 CC[C@H](C)CSCc1ccon1 62a_100000234950_100009816398 [0,1,0,0,0,1|2,0,0]=4 3859 B12R1.477 CC[C@H](C)CSCc1ccon1 62a_100009816398_100000234950 [0,1,0,0,0,1|2,0,0]=4 3860 B12R1.477 CC[C@H](C)CSCc1ccsc1 62a_100009816398_100011233845 [0,1,0,0,0,1|2,0,0]=4 3861 B12R1.477 CC[C@H](C)CSCc1ccsc1 62a_100011261437_100009816398 [0,1,0,0,0,1|2,0,0]=4 3862 B12R1.477 CC[C@H](C)CSCc1cncs1 62a_100009816398_100015185245 [0,1,0,0,0,1|1,1,0]=4 3863 B12R1.477 CC[C@H](C)CSCc1cncs1 62a_100015185245_100009816398 [0,1,0,0,0,1|1,1,0]=4 3864 B12R1.477 CC[C@H](C)CSCc1cscn1 62a_100000205941_100009816398 [0,1,0,0,0,1|2,0,0]=4 3865 B12R1.477 CC[C@H](C)CSCc1cscn1 62a_100009816398_100000205941 [0,1,0,0,0,1|2,0,0]=4 3866 B12R1.477 CC[C@H](C)CSCc1ncc[nH]1 62a_100009816398_100016991755 [0,1,0,0,0,1|2,0,0]=4 3867 B12R1.477 CC[C@H](C)CSCc1ncc[nH]1 62a_100016991755_100009816398 [0,1,0,0,0,1|2,0,0]=4 3868 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_100009816398_103436540062 [0,1,0,0,0,1|1,0,0]=3 3869 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_103436540062_100009816398 [0,1,0,0,0,1|1,0,0]=3 3870 B12R1.477 CC[C@H](C)CSCc1nccs1 62a_100009816398_100015184050 [0,1,0,0,0,1|1,1,0]=4 3871 B12R1.477 CC[C@H](C)CSCc1nccs1 62a_100015184050_100009816398 [0,1,0,0,0,1|1,1,0]=4 3872 B12R1.477 CNC(C)CSCc1ccco1 270004a_106832991635_200000149978 [0,1,0,0,0,1|0,0,0]=2 3873 B12R1.477 COC(C)COCc1ncco1 34a_100000690652_103436540062 [0,1,0,0,0,1|1,1,0]=4 3874 B12R1.477 COC(C)SCCc1c[nH]cn1 62a_100009879195_100020628418 [0,1,0,0,0,1|2,0,0]=4 3875 B12R1.477 COC(C)SCCc1c[nH]cn1 62a_100020628418_100009879195 [0,1,0,0,0,1|2,0,0]=4 3876 B12R1.477 COC(C)SCCc1cccs1 62a_100000748579_100009879195 [0,1,0,0,0,1|0,1,0]=3 3877 B12R1.477 COC(C)SCCc1cccs1 62a_100009879195_100000748579 [0,1,0,0,0,1|0,1,0]=3 3878 B12R1.477 COC(C)SCCn1cccc1 62a_100009879195_200000035178 [0,1,0,0,0,1|2,0,0]=4 3879 B12R1.477 COC(C)SCCn1cccc1 62a_200009811947_100009879195 [0,1,0,0,0,1|2,0,0]=4 3880 B12R1.477 COC(C)SCCn1cccn1 62a_100009879195_100000685285 [0,1,0,0,0,1|2,0,0]=4 3881 B12R1.477 COC(C)SCCn1cccn1 62a_100015204718_100009879195 [0,1,0,0,0,1|2,0,0]=4 3882 B12R1.477 CO[C@H](C)CNCc1ccco1 207a_100020591295_100000186105 [0,1,0,0,0,1|1,0,0]=3 3883 B12R1.477 CO[C@H](C)CNCc1ccco1 270004a_100020591295_100000186105 [0,1,0,0,0,1|1,0,0]=3 3884 B12R1.477 CO[C@H](C)CNCc1cccs1 207a_100020591295_100000209959 [0,1,0,0,0,1|1,1,0]=4 3885 B12R1.477 CO[C@H](C)CNCc1cccs1 270004a_100020591295_100000209959 [0,1,0,0,0,1|1,1,0]=4 3886 B12R1.477 CO[C@H](C)CNCc1cnco1 270004a_100020591295_100000064291 [0,1,0,0,0,1|2,0,0]=4 3887 B12R1.477 CO[C@H](C)CNCc1ncco1 2230a_100020591295_103436540062 [0,1,0,0,0,1|2,0,0]=4 3888 B12R1.477 CO[C@H](C)CNCc1ncco1 270004a_100020591295_100000064290 [0,1,0,0,0,1|2,0,0]=4 3889 B12R1.477 C[C@@H](CO)CNCc1ccco1 2230a_100000185738_100000059175 [0,1,0,0,0,1|1,0,0]=3 3890 B12R1.477 C[C@@H](CO)CNCc1ccco1 34a_100000185738_100000059175 [0,1,0,0,0,1|1,0,0]=3 3891 B12R1.477 C[C@@H](CO)CNCc1cccs1 2230a_100000211653_100000059175 [0,1,0,0,0,1|1,1,0]=4 3892 B12R1.477 C[C@@H](CO)CNCc1ncco1 2230a_100016994969_100000059175 [0,1,0,0,0,1|2,0,0]=4 3893 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [0,1,0,0,0,1|0,1,0]=3 3894 B12R1.477 C[C@@H](CO)COCc1cccs1 34a_100000211240_100000059175 [0,1,0,0,0,1|0,2,0]=4 3895 B12R1.477 C[C@@H](CO)COCc1ccno1 34a_100000740478_100000059175 [0,1,0,0,0,1|1,1,0]=4 3896 B12R1.477 C[C@@H](CO)COCc1ncco1 34a_100000062594_100000059175 [0,1,0,0,0,1|1,1,0]=4 3897 B12R1.477 C[C@@H](CO)CSCc1c[nH]cn1 62a_100000059175_100000707719 [0,1,0,0,0,1|2,0,0]=4 3898 B12R1.477 C[C@@H](CO)CSCc1c[nH]cn1 62a_100000707719_100000059175 [0,1,0,0,0,1|2,0,0]=4 3899 B12R1.477 C[C@@H](CO)CSCc1ccn[nH]1 62a_100000059175_100000728653 [0,1,0,0,0,1|2,0,0]=4 3900 B12R1.477 C[C@@H](CO)CSCc1ccn[nH]1 62a_100000728653_100000059175 [0,1,0,0,0,1|2,0,0]=4 3901 B12R1.477 C[C@@H](CO)CSCc1ccon1 62a_100000059175_100000234950 [0,1,0,0,0,1|2,0,0]=4 3902 B12R1.477 C[C@@H](CO)CSCc1ccon1 62a_100000234950_100000059175 [0,1,0,0,0,1|2,0,0]=4 3903 B12R1.477 C[C@@H](CO)CSCc1ccsc1 62a_100000059175_100011233845 [0,1,0,0,0,1|2,0,0]=4 3904 B12R1.477 C[C@@H](CO)CSCc1ccsc1 62a_100011261437_100000059175 [0,1,0,0,0,1|2,0,0]=4 3905 B12R1.477 C[C@@H](CO)CSCc1cncs1 62a_100000059175_100015185245 [0,1,0,0,0,1|1,1,0]=4 3906 B12R1.477 C[C@@H](CO)CSCc1cncs1 62a_100015185245_100000059175 [0,1,0,0,0,1|1,1,0]=4 3907 B12R1.477 C[C@@H](CO)CSCc1cscn1 62a_100000059175_100000205941 [0,1,0,0,0,1|2,0,0]=4 3908 B12R1.477 C[C@@H](CO)CSCc1cscn1 62a_100000205941_100000059175 [0,1,0,0,0,1|2,0,0]=4 3909 B12R1.477 C[C@@H](CO)CSCc1ncc[nH]1 62a_100000059175_100016991755 [0,1,0,0,0,1|2,0,0]=4 3910 B12R1.477 C[C@@H](CO)CSCc1ncc[nH]1 62a_100016991755_100000059175 [0,1,0,0,0,1|2,0,0]=4 3911 B12R1.477 C[C@@H](CO)CSCc1ncco1 62a_100000059175_103436540062 [0,1,0,0,0,1|1,0,0]=3 3912 B12R1.477 C[C@@H](CO)CSCc1ncco1 62a_103436540062_100000059175 [0,1,0,0,0,1|1,0,0]=3 3913 B12R1.477 C[C@@H](CO)CSCc1nccs1 62a_100000059175_100015184050 [0,1,0,0,0,1|1,1,0]=4 3914 B12R1.477 C[C@@H](CO)CSCc1nccs1 62a_100015184050_100000059175 [0,1,0,0,0,1|1,1,0]=4 3915 B12R1.477 C[C@H](CO)NCCc1cccs1 2230a_100000737577_100000748579 [0,1,0,0,0,1|1,1,0]=4 3916 B12R1.477 C[C@H](CO)SCCc1c[nH]cn1 62a_100016084084_100020628418 [0,1,0,0,0,1|2,0,0]=4 3917 B12R1.477 C[C@H](CO)SCCc1c[nH]cn1 62a_100020628418_100016084084 [0,1,0,0,0,1|2,0,0]=4 3918 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100000748579_100016084084 [0,1,0,0,0,1|0,1,0]=3 3919 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100016084084_100000748579 [0,1,0,0,0,1|0,1,0]=3 3920 B12R1.477 C[C@H](CO)SCCn1cccc1 62a_100016084084_200000035178 [0,1,0,0,0,1|2,0,0]=4 3921 B12R1.477 C[C@H](CO)SCCn1cccc1 62a_200009811947_100016084084 [0,1,0,0,0,1|2,0,0]=4 3922 B12R1.477 C[C@H](CO)SCCn1cccn1 62a_100015204718_100016084084 [0,1,0,0,0,1|2,0,0]=4 3923 B12R1.477 C[C@H](CO)SCCn1cccn1 62a_100016084084_100000685285 [0,1,0,0,0,1|2,0,0]=4 3924 B12R1.477 OCC(O)CNCc1ccco1 2230a_100000185738_100011219619 [0,1,0,0,0,1|2,0,0]=4 3925 B12R1.477 OCC(O)CNCc1ccco1 34a_100000185738_100011219619 [0,1,0,0,0,1|2,0,0]=4 3926 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [0,1,0,0,0,1|1,1,0]=4 3927 B12R1.477 OCC(O)CSCc1ncco1 62a_100011219619_103436540062 [0,1,0,0,0,1|2,0,0]=4 3928 B12R1.477 OCC(O)CSCc1ncco1 62a_103436540062_100011219619 [0,1,0,0,0,1|2,0,0]=4 3929 B12R1.477 OC[C@@H](O)CNCc1ccco1 207a_100020644852_100000186105 [0,1,0,0,0,1|2,0,0]=4 3930 B12R1.477 OC[C@H](F)CNCc1ccco1 207a_100015665980_100000186105 [0,1,0,0,0,1|2,0,0]=4 3931 B12R1.477 OC[C@H](F)CNCc1ccco1 270004a_100015665980_100000186105 [0,1,0,0,0,1|2,0,0]=4 3932 B12R1.477 OC[C@H](O)CNCc1ccco1 2230a_100000185738_100009815848 [0,1,0,0,0,1|2,0,0]=4 3933 B12R1.477 OC[C@H](O)CNCc1ccco1 34a_100000185738_100009815848 [0,1,0,0,0,1|2,0,0]=4 3934 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [0,1,0,0,0,1|1,1,0]=4 3935 B12R1.477 OC[C@H](O)CSCc1ncco1 62a_100009815848_103436540062 [0,1,0,0,0,1|2,0,0]=4 3936 B12R1.477 OC[C@H](O)CSCc1ncco1 62a_103436540062_100009815848 [0,1,0,0,0,1|2,0,0]=4 3937 B12R1.477 O[C@@H](CF)CNCc1ccco1 2230a_100000185738_100015614560 [0,1,0,0,0,1|2,0,0]=4 3938 B12R1.477 O[C@@H](CF)CNCc1ccco1 34a_100000185738_100015614560 [0,1,0,0,0,1|2,0,0]=4 3939 B12R1.477 O[C@@H](CF)COCc1ccco1 34a_100000210059_100015614560 [0,1,0,0,0,1|1,1,0]=4 3940 B12R1.477 O[C@@H](CF)CSCc1ncco1 62a_100015614560_103436540062 [0,1,0,0,0,1|2,0,0]=4 3941 B12R1.477 O[C@@H](CF)CSCc1ncco1 62a_103436540062_100015614560 [0,1,0,0,0,1|2,0,0]=4 3942 B12R1.890 CC(C)(C)CCSc1ccco1 62a_100000755188_100009814098 [0,1,0,0,0,1|1,0,0]=3 3943 B12R1.890 CC(C)(C)CCSc1ccco1 62a_100009814098_100000755188 [0,1,0,0,0,1|1,0,0]=3 3944 B12R1.890 CC(C)(C)CCSc1cccs1 62a_100000755188_100011215356 [0,1,0,0,0,1|1,1,0]=4 3945 B12R1.890 CC(C)(C)CCSc1cccs1 62a_100011215356_100000755188 [0,1,0,0,0,1|1,1,0]=4 3946 B12R1.890 CC(C)(C)CCSc1cnco1 62a_100000755188_100020591547 [0,1,0,0,0,1|2,0,0]=4 3947 B12R1.890 CC(C)(C)CCSc1cnco1 62a_100020591547_100000755188 [0,1,0,0,0,1|2,0,0]=4 3948 B12R1.890 CC(C)(C)CCSc1ncco1 62a_100000755188_100011787736 [0,1,0,0,0,1|2,0,0]=4 3949 B12R1.890 CC(C)(C)CCSc1ncco1 62a_100011787736_100000755188 [0,1,0,0,0,1|2,0,0]=4 3950 B12R1.890 CC(C)(C)CNCc1ccco1 207a_100000743828_100000186105 [0,1,0,0,0,1|1,0,0]=3 3951 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000185738_100011204126 [0,1,0,0,0,1|1,0,0]=3 3952 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000743828_100000186105 [0,1,0,0,0,1|1,0,0]=3 3953 B12R1.890 CC(C)(C)CNCc1ccco1 34a_100000185738_100011219605 [0,1,0,0,0,1|1,0,0]=3 3954 B12R1.890 CC(C)(C)CNCc1cccs1 207a_100000743828_100000209959 [0,1,0,0,0,1|1,1,0]=4 3955 B12R1.890 CC(C)(C)CNCc1cccs1 270004a_100000211653_100011204126 [0,1,0,0,0,1|1,1,0]=4 3956 B12R1.890 CC(C)(C)CNCc1cccs1 270004a_100000743828_100000209959 [0,1,0,0,0,1|1,1,0]=4 3957 B12R1.890 CC(C)(C)CNCc1cnco1 270004a_100000743828_100000064291 [0,1,0,0,0,1|2,0,0]=4 3958 B12R1.890 CC(C)(C)CNCc1cnco1 270004a_100020634212_100011204126 [0,1,0,0,0,1|2,0,0]=4 3959 B12R1.890 CC(C)(C)CNCc1ncco1 2230a_100000743828_103436540062 [0,1,0,0,0,1|2,0,0]=4 3960 B12R1.890 CC(C)(C)CNCc1ncco1 270004a_100000743828_100000064290 [0,1,0,0,0,1|2,0,0]=4 3961 B12R1.890 CC(C)(C)COCc1ccco1 34a_100000210059_100011219605 [0,1,0,0,0,1|0,1,0]=3 3962 B12R1.890 CC(C)(C)COCc1cccs1 34a_100000211240_100011219605 [0,1,0,0,0,1|0,2,0]=4 3963 B12R1.890 CC(C)(C)COCc1ccno1 34a_100000740478_100011219605 [0,1,0,0,0,1|1,1,0]=4 3964 B12R1.890 CC(C)(C)COCc1ncco1 34a_100000062594_100011219605 [0,1,0,0,0,1|1,1,0]=4 3965 B12R1.890 CC(C)(C)CSCc1c[nH]cn1 62a_100000707719_100011219605 [0,1,0,0,0,1|2,0,0]=4 3966 B12R1.890 CC(C)(C)CSCc1c[nH]cn1 62a_100011219605_100000707719 [0,1,0,0,0,1|2,0,0]=4 3967 B12R1.890 CC(C)(C)CSCc1ccn[nH]1 62a_100000728653_100011219605 [0,1,0,0,0,1|2,0,0]=4 3968 B12R1.890 CC(C)(C)CSCc1ccn[nH]1 62a_100011219605_100000728653 [0,1,0,0,0,1|2,0,0]=4 3969 B12R1.890 CC(C)(C)CSCc1ccon1 62a_100000234950_100011219605 [0,1,0,0,0,1|2,0,0]=4 3970 B12R1.890 CC(C)(C)CSCc1ccon1 62a_100011219605_100000234950 [0,1,0,0,0,1|2,0,0]=4 3971 B12R1.890 CC(C)(C)CSCc1ccsc1 62a_100011219605_100011233845 [0,1,0,0,0,1|2,0,0]=4 3972 B12R1.890 CC(C)(C)CSCc1ccsc1 62a_100011261437_100011219605 [0,1,0,0,0,1|2,0,0]=4 3973 B12R1.890 CC(C)(C)CSCc1cncs1 62a_100011219605_100015185245 [0,1,0,0,0,1|1,1,0]=4 3974 B12R1.890 CC(C)(C)CSCc1cncs1 62a_100015185245_100011219605 [0,1,0,0,0,1|1,1,0]=4 3975 B12R1.890 CC(C)(C)CSCc1cscn1 62a_100000205941_100011219605 [0,1,0,0,0,1|2,0,0]=4 3976 B12R1.890 CC(C)(C)CSCc1cscn1 62a_100011219605_100000205941 [0,1,0,0,0,1|2,0,0]=4 3977 B12R1.890 CC(C)(C)CSCc1ncc[nH]1 62a_100011219605_100016991755 [0,1,0,0,0,1|2,0,0]=4 3978 B12R1.890 CC(C)(C)CSCc1ncc[nH]1 62a_100016991755_100011219605 [0,1,0,0,0,1|2,0,0]=4 3979 B12R1.890 CC(C)(C)CSCc1ncco1 62a_100011219605_103436540062 [0,1,0,0,0,1|1,0,0]=3 3980 B12R1.890 CC(C)(C)CSCc1ncco1 62a_103436540062_100011219605 [0,1,0,0,0,1|1,0,0]=3 3981 B12R1.890 CC(C)(C)CSCc1nccs1 62a_100011219605_100015184050 [0,1,0,0,0,1|1,1,0]=4 3982 B12R1.890 CC(C)(C)CSCc1nccs1 62a_100015184050_100011219605 [0,1,0,0,0,1|1,1,0]=4 3983 B12R1.890 CC(C)(C)NCCc1ccco1 34a_100000694680_100000210625 [0,1,0,0,0,1|1,0,0]=3 3984 B12R1.890 CC(C)(C)NCCc1cccs1 2230a_100000715429_100000748579 [0,1,0,0,0,1|1,1,0]=4 3985 B12R1.890 CC(C)(C)NCCc1cccs1 34a_100000203755_100000210625 [0,1,0,0,0,1|1,1,0]=4 3986 B12R1.890 CC(C)(C)NN=Cc1ccco1 4a_100000725372_100000186105 [0,1,0,0,0,1|1,0,1]=4 3987 B12R1.890 CC(C)(C)OCCc1cccs1 34a_100011216825_100000210625 [0,1,0,0,0,1|0,2,0]=4 3988 B12R1.890 CC(C)(C)OCCc1cccs1 34a_100015890283_100000748579 [0,1,0,0,0,1|0,2,0]=4 3989 B12R1.890 CC(C)(C)OCCc1cccs1 7a_100015890283_100000748579 [0,1,0,0,0,1|0,2,0]=4 3990 B12R1.890 CC(C)(C)SCCc1c[nH]cn1 62a_100000211941_100020628418 [0,1,0,0,0,1|2,0,0]=4 3991 B12R1.890 CC(C)(C)SCCc1c[nH]cn1 62a_100020628418_100000211941 [0,1,0,0,0,1|2,0,0]=4 3992 B12R1.890 CC(C)(C)SCCc1cccs1 62a_100000211941_100000748579 [0,1,0,0,0,1|0,1,0]=3 3993 B12R1.890 CC(C)(C)SCCc1cccs1 62a_100000748579_100000211941 [0,1,0,0,0,1|0,1,0]=3 3994 B12R1.890 CC(C)(C)SCCn1cccc1 62a_100000211941_200000035178 [0,1,0,0,0,1|2,0,0]=4 3995 B12R1.890 CC(C)(C)SCCn1cccc1 62a_200009811947_100000211941 [0,1,0,0,0,1|2,0,0]=4 3996 B12R1.890 CC(C)(C)SCCn1cccn1 62a_100000211941_100000685285 [0,1,0,0,0,1|2,0,0]=4 3997 B12R1.890 CC(C)(C)SCCn1cccn1 62a_100015204718_100000211941 [0,1,0,0,0,1|2,0,0]=4 3998 B12R1.890 CC(C)(F)CNCc1ccco1 207a_100020643315_100000186105 [0,1,0,0,0,1|1,0,0]=3 3999 B12R1.890 CC(C)(F)CNCc1ccco1 270004a_100020643315_100000186105 [0,1,0,0,0,1|1,0,0]=3 4000 B12R1.890 CC(C)(F)CNCc1ccco1 34a_100000185738_100011997219 [0,1,0,0,0,1|1,0,0]=3 4001 B12R1.890 CC(C)(F)CNCc1cccs1 207a_100020643315_100000209959 [0,1,0,0,0,1|1,1,0]=4 4002 B12R1.890 CC(C)(F)CNCc1cccs1 270004a_100020643315_100000209959 [0,1,0,0,0,1|1,1,0]=4 4003 B12R1.890 CC(C)(F)CNCc1cnco1 270004a_100020643315_100000064291 [0,1,0,0,0,1|2,0,0]=4 4004 B12R1.890 CC(C)(F)CNCc1ncco1 2230a_100020643315_103436540062 [0,1,0,0,0,1|2,0,0]=4 4005 B12R1.890 CC(C)(F)CNCc1ncco1 270004a_100020643315_100000064290 [0,1,0,0,0,1|2,0,0]=4 4006 B12R1.890 CC(C)(F)COCc1ccco1 34a_100000210059_100011997219 [0,1,0,0,0,1|0,1,0]=3 4007 B12R1.890 CC(C)(F)COCc1cccs1 34a_100000211240_100011997219 [0,1,0,0,0,1|0,2,0]=4 4008 B12R1.890 CC(C)(F)COCc1ccno1 34a_100000740478_100011997219 [0,1,0,0,0,1|1,1,0]=4 4009 B12R1.890 CC(C)(F)COCc1ncco1 34a_100000062594_100011997219 [0,1,0,0,0,1|1,1,0]=4 4010 B12R1.890 CC(C)(F)COCc1ncco1 34a_100000716592_103436540062 [0,1,0,0,0,1|1,1,0]=4 4011 B12R1.890 CC(C)(F)CSCc1c[nH]cn1 62a_100000707719_100011997219 [0,1,0,0,0,1|2,0,0]=4 4012 B12R1.890 CC(C)(F)CSCc1c[nH]cn1 62a_100011997219_100000707719 [0,1,0,0,0,1|2,0,0]=4 4013 B12R1.890 CC(C)(F)CSCc1ccn[nH]1 62a_100000728653_100011997219 [0,1,0,0,0,1|2,0,0]=4 4014 B12R1.890 CC(C)(F)CSCc1ccn[nH]1 62a_100011997219_100000728653 [0,1,0,0,0,1|2,0,0]=4 4015 B12R1.890 CC(C)(F)CSCc1ccon1 62a_100000234950_100011997219 [0,1,0,0,0,1|2,0,0]=4 4016 B12R1.890 CC(C)(F)CSCc1ccon1 62a_100011997219_100000234950 [0,1,0,0,0,1|2,0,0]=4 4017 B12R1.890 CC(C)(F)CSCc1ccsc1 62a_100011261437_100011997219 [0,1,0,0,0,1|2,0,0]=4 4018 B12R1.890 CC(C)(F)CSCc1ccsc1 62a_100011997219_100011233845 [0,1,0,0,0,1|2,0,0]=4 4019 B12R1.890 CC(C)(F)CSCc1cncs1 62a_100011997219_100015185245 [0,1,0,0,0,1|1,1,0]=4 4020 B12R1.890 CC(C)(F)CSCc1cncs1 62a_100015185245_100011997219 [0,1,0,0,0,1|1,1,0]=4 4021 B12R1.890 CC(C)(F)CSCc1cscn1 62a_100000205941_100011997219 [0,1,0,0,0,1|2,0,0]=4 4022 B12R1.890 CC(C)(F)CSCc1cscn1 62a_100011997219_100000205941 [0,1,0,0,0,1|2,0,0]=4 4023 B12R1.890 CC(C)(F)CSCc1ncc[nH]1 62a_100011997219_100016991755 [0,1,0,0,0,1|2,0,0]=4 4024 B12R1.890 CC(C)(F)CSCc1ncc[nH]1 62a_100016991755_100011997219 [0,1,0,0,0,1|2,0,0]=4 4025 B12R1.890 CC(C)(F)CSCc1ncco1 62a_100011997219_103436540062 [0,1,0,0,0,1|1,0,0]=3 4026 B12R1.890 CC(C)(F)CSCc1ncco1 62a_103436540062_100011997219 [0,1,0,0,0,1|1,0,0]=3 4027 B12R1.890 CC(C)(F)CSCc1nccs1 62a_100011997219_100015184050 [0,1,0,0,0,1|1,1,0]=4 4028 B12R1.890 CC(C)(F)CSCc1nccs1 62a_100015184050_100011997219 [0,1,0,0,0,1|1,1,0]=4 4029 B12R1.890 CC(C)(O)CCSc1ccco1 62a_100000702414_100009814098 [0,1,0,0,0,1|1,0,0]=3 4030 B12R1.890 CC(C)(O)CCSc1ccco1 62a_100009814098_100000702414 [0,1,0,0,0,1|1,0,0]=3 4031 B12R1.890 CC(C)(O)CCSc1cccs1 62a_100000702414_100011215356 [0,1,0,0,0,1|1,1,0]=4 4032 B12R1.890 CC(C)(O)CCSc1cccs1 62a_100011215356_100000702414 [0,1,0,0,0,1|1,1,0]=4 4033 B12R1.890 CC(C)(O)CCSc1cnco1 62a_100000702414_100020591547 [0,1,0,0,0,1|2,0,0]=4 4034 B12R1.890 CC(C)(O)CCSc1cnco1 62a_100020591547_100000702414 [0,1,0,0,0,1|2,0,0]=4 4035 B12R1.890 CC(C)(O)CCSc1ncco1 62a_100000702414_100011787736 [0,1,0,0,0,1|2,0,0]=4 4036 B12R1.890 CC(C)(O)CCSc1ncco1 62a_100011787736_100000702414 [0,1,0,0,0,1|2,0,0]=4 4037 B12R1.890 CC(C)(O)CNCc1ccco1 207a_100000751335_100000186105 [0,1,0,0,0,1|1,0,0]=3 4038 B12R1.890 CC(C)(O)CNCc1ccco1 270004a_100000751335_100000186105 [0,1,0,0,0,1|1,0,0]=3 4039 B12R1.890 CC(C)(O)CNCc1ccco1 34a_100000185738_100000764493 [0,1,0,0,0,1|1,0,0]=3 4040 B12R1.890 CC(C)(O)CNCc1cccs1 207a_100000751335_100000209959 [0,1,0,0,0,1|1,1,0]=4 4041 B12R1.890 CC(C)(O)CNCc1cccs1 270004a_100000751335_100000209959 [0,1,0,0,0,1|1,1,0]=4 4042 B12R1.890 CC(C)(O)CNCc1cnco1 270004a_100000751335_100000064291 [0,1,0,0,0,1|2,0,0]=4 4043 B12R1.890 CC(C)(O)CNCc1ncco1 2230a_100000751335_103436540062 [0,1,0,0,0,1|2,0,0]=4 4044 B12R1.890 CC(C)(O)CNCc1ncco1 270004a_100000751335_100000064290 [0,1,0,0,0,1|2,0,0]=4 4045 B12R1.890 CC(C)(O)COCc1ccco1 34a_100000210059_100000764493 [0,1,0,0,0,1|0,1,0]=3 4046 B12R1.890 CC(C)(O)COCc1cccs1 34a_100000211240_100000764493 [0,1,0,0,0,1|0,2,0]=4 4047 B12R1.890 CC(C)(O)COCc1ccno1 34a_100000740478_100000764493 [0,1,0,0,0,1|1,1,0]=4 4048 B12R1.890 CC(C)(O)COCc1ncco1 34a_100000062594_100000764493 [0,1,0,0,0,1|1,1,0]=4 4049 B12R1.890 CC(C)(O)CSCc1c[nH]cn1 62a_100000707719_100000764493 [0,1,0,0,0,1|2,0,0]=4 4050 B12R1.890 CC(C)(O)CSCc1c[nH]cn1 62a_100000764493_100000707719 [0,1,0,0,0,1|2,0,0]=4 4051 B12R1.890 CC(C)(O)CSCc1ccn[nH]1 62a_100000728653_100000764493 [0,1,0,0,0,1|2,0,0]=4 4052 B12R1.890 CC(C)(O)CSCc1ccn[nH]1 62a_100000764493_100000728653 [0,1,0,0,0,1|2,0,0]=4 4053 B12R1.890 CC(C)(O)CSCc1ccon1 62a_100000234950_100000764493 [0,1,0,0,0,1|2,0,0]=4 4054 B12R1.890 CC(C)(O)CSCc1ccon1 62a_100000764493_100000234950 [0,1,0,0,0,1|2,0,0]=4 4055 B12R1.890 CC(C)(O)CSCc1ccsc1 62a_100000764493_100011233845 [0,1,0,0,0,1|2,0,0]=4 4056 B12R1.890 CC(C)(O)CSCc1ccsc1 62a_100011261437_100000764493 [0,1,0,0,0,1|2,0,0]=4 4057 B12R1.890 CC(C)(O)CSCc1cncs1 62a_100000764493_100015185245 [0,1,0,0,0,1|1,1,0]=4 4058 B12R1.890 CC(C)(O)CSCc1cncs1 62a_100015185245_100000764493 [0,1,0,0,0,1|1,1,0]=4 4059 B12R1.890 CC(C)(O)CSCc1cscn1 62a_100000205941_100000764493 [0,1,0,0,0,1|2,0,0]=4 4060 B12R1.890 CC(C)(O)CSCc1cscn1 62a_100000764493_100000205941 [0,1,0,0,0,1|2,0,0]=4 4061 B12R1.890 CC(C)(O)CSCc1ncc[nH]1 62a_100000764493_100016991755 [0,1,0,0,0,1|2,0,0]=4 4062 B12R1.890 CC(C)(O)CSCc1ncc[nH]1 62a_100016991755_100000764493 [0,1,0,0,0,1|2,0,0]=4 4063 B12R1.890 CC(C)(O)CSCc1ncco1 62a_100000764493_103436540062 [0,1,0,0,0,1|1,0,0]=3 4064 B12R1.890 CC(C)(O)CSCc1ncco1 62a_103436540062_100000764493 [0,1,0,0,0,1|1,0,0]=3 4065 B12R1.890 CC(C)(O)CSCc1nccs1 62a_100000764493_100015184050 [0,1,0,0,0,1|1,1,0]=4 4066 B12R1.890 CC(C)(O)CSCc1nccs1 62a_100015184050_100000764493 [0,1,0,0,0,1|1,1,0]=4 4067 B12R1.890 CC(F)(F)CNCc1ccco1 207a_100000731000_100000186105 [0,1,0,0,0,1|2,0,0]=4 4068 B12R1.890 CC(F)(F)CNCc1ccco1 270004a_100000731000_100000186105 [0,1,0,0,0,1|2,0,0]=4 4069 B12R1.890 C[N+](C)(C)CCSc1ccco1 62a_100000085578_100009814098 [0,1,0,0,0,1|2,0,0]=4 4070 B12R1.890 C[N+](C)(C)CCSc1ccco1 62a_100009814098_100000085578 [0,1,0,0,0,1|2,0,0]=4 4071 B12R1.890 C[N+](C)(C)CSCc1ncco1 62a_103436540062_200000036245 [0,1,0,0,0,1|2,0,0]=4 4072 B12R1.890 C[N+](C)(C)CSCc1ncco1 62a_200000036245_103436540062 [0,1,0,0,0,1|2,0,0]=4 4073 B12R1.890 C[Si](C)(C)/C=C/Cc1ccco1 271570a_100160482004_100009814098 [0,1,0,0,0,1|1,1,0]=4 4074 B12R1.890 C[Si](C)(C)CCSc1ccco1 62a_100009814098_200000733723 [0,1,0,0,0,1|1,1,0]=4 4075 B12R1.890 C[Si](C)(C)CCSc1ccco1 62a_200000733723_100009814098 [0,1,0,0,0,1|1,1,0]=4 4076 B12R1.890 C[Si](C)(C)CNCc1ccco1 2230a_100000185738_100000037933 [0,1,0,0,0,1|1,1,0]=4 4077 B12R1.890 C[Si](C)(C)CSCc1ncco1 62a_100000037933_103436540062 [0,1,0,0,0,1|1,1,0]=4 4078 B12R1.890 C[Si](C)(C)CSCc1ncco1 62a_103436540062_100000037933 [0,1,0,0,0,1|1,1,0]=4 4079 B12R1.15 C#CC(C)O[C@@H](C)c1ccco1 34a_100000755270_200000035995 [0,2,0,0,0,0|0,1,1]=4 4080 B12R1.15 CC(C#N)N[C@H](C)c1ccco1 2230a_100160469435_100000184139 [0,2,0,0,0,0|1,0,1]=4 4081 B12R1.15 CC(C#N)O[C@@H](C)c1ccco1 7a_100000755270_100000703298 [0,2,0,0,0,0|0,1,1]=4 4082 B12R1.15 CC(CO)NC(C)c1cccs1 2230a_100000703493_100012180447 [0,2,0,0,0,0|1,1,0]=4 4083 B12R1.15 CC(CO)N[C@H](C)c1ccco1 2230a_100160469435_100012180447 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.15 CC(CO)O[C@@H](C)c1ccco1 34a_100000755270_100012180447 [0,2,0,0,0,0|0,1,0]=3 4085 B12R1.15 CC(CO)O[C@@H](C)c1ccco1 7a_100000755270_100012180447 [0,2,0,0,0,0|0,1,0]=3 4086 B12R1.15 CC(CO)O[C@H](C)c1cccs1 7a_100000750433_100012180447 [0,2,0,0,0,0|0,2,0]=4 4087 B12R1.15 CC(N[C@H](C)CF)c1ccc[nH]1 269862a_100102880703_100000183661 [0,2,0,0,0,0|2,0,0]=4 4088 B12R1.15 CC(N[C@H](C)CF)c1cccs1 269862a_100102880703_100000185736 [0,2,0,0,0,0|1,1,0]=4 4089 B12R1.15 CC(N[C@H](C)CO)c1ccc[nH]1 269862a_100000737577_100000183661 [0,2,0,0,0,0|2,0,0]=4 4090 B12R1.15 CC(N[C@H](C)CO)c1cccs1 269862a_100000737577_100000185736 [0,2,0,0,0,0|1,1,0]=4 4091 B12R1.15 CCC(C)NC(C)c1ccc[nH]1 269862a_100000209981_100000183661 [0,2,0,0,0,0|2,0,0]=4 4092 B12R1.15 CCC(C)NC(C)c1cccs1 2230a_100000703493_100000758301 [0,2,0,0,0,0|1,1,0]=4 4093 B12R1.15 CCC(C)NC(C)c1cccs1 269862a_100000209981_100000185736 [0,2,0,0,0,0|1,1,0]=4 4094 B12R1.15 CCC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000758301 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100011215416 [0,2,0,0,0,0|0,1,0]=3 4096 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000758301 [0,2,0,0,0,0|0,1,0]=3 4097 B12R1.15 CCC(C)O[C@H](C)c1cccs1 7a_100000750433_100000758301 [0,2,0,0,0,0|0,2,0]=4 4098 B12R1.26 C#CC(C)NCc1cc(co1)Br 270004a_100000707721_100000747035 [0,2,0,0,0,0|1,0,1]=4 4099 B12R1.26 C#CC(C)NCc1ccc(o1)Br 270004a_100000707721_100000185145 [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.26 C#CC(C)NCc1ccc(o1)Br 34a_100000708654_200000035995 [0,2,0,0,0,0|1,0,1]=4 4101 B12R1.26 C#CC(C)NCc1ccc(o1)C 270004a_100000707721_100000183696 [0,2,0,0,0,0|1,0,1]=4 4102 B12R1.26 C#CC(C)NCc1ccc(o1)C 34a_100011194323_200000035995 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.26 C#CC(C)NCc1ccc(o1)Cl 270004a_100000707721_100000188459 [0,2,0,0,0,0|1,0,1]=4 4104 B12R1.26 C#CC(C)OCc1ccc(o1)Br 34a_100000246276_200000035995 [0,2,0,0,0,0|0,1,1]=4 4105 B12R1.26 C#CC(C)OCc1ccc(o1)C 34a_100011232665_200000035995 [0,2,0,0,0,0|0,1,1]=4 4106 B12R1.26 C#CC(C)SCc1cc(cs1)Br 62a_200000035995_100000746031 [0,2,0,0,0,0|0,1,1]=4 4107 B12R1.26 C#CC(C)SCc1cc(no1)Br 62a_200000035995_100000709089 [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.26 C#CC(C)SCc1cc(no1)C 62a_200000035995_100000707947 [0,2,0,0,0,0|1,0,1]=4 4109 B12R1.26 C#CC(C)SCc1ccc(s1)Br 62a_200000035995_100000708592 [0,2,0,0,0,0|0,1,1]=4 4110 B12R1.26 C#CC(C)SCc1ccc(s1)Cl 62a_200000035995_100000185097 [0,2,0,0,0,0|0,1,1]=4 4111 B12R1.26 C=CC(C)SCc1cc(cs1)Br 62a_100011215867_100000746031 [0,2,0,0,0,0|0,1,1]=4 4112 B12R1.26 C=CC(C)SCc1cc(no1)Br 62a_100011215867_100000709089 [0,2,0,0,0,0|1,0,1]=4 4113 B12R1.26 C=CC(C)SCc1cc(no1)C 62a_100011215867_100000707947 [0,2,0,0,0,0|1,0,1]=4 4114 B12R1.26 C=CC(C)SCc1ccc(s1)Br 62a_100011215867_100000708592 [0,2,0,0,0,0|0,1,1]=4 4115 B12R1.26 C=CC(C)SCc1ccc(s1)Cl 62a_100011215867_100000185097 [0,2,0,0,0,0|0,1,1]=4 4116 B12R1.26 CC(C#N)OCc1ccc(o1)Br 7a_100000246276_100000703298 [0,2,0,0,0,0|0,1,1]=4 4117 B12R1.26 CC(C#N)SCc1cc(cs1)Br 62a_100000703298_100000746031 [0,2,0,0,0,0|0,1,1]=4 4118 B12R1.26 CC(C#N)SCc1cc(cs1)Br 62a_100000746031_100000703298 [0,2,0,0,0,0|0,1,1]=4 4119 B12R1.26 CC(C#N)SCc1cc(no1)Br 62a_100000703298_100000709089 [0,2,0,0,0,0|1,0,1]=4 4120 B12R1.26 CC(C#N)SCc1cc(no1)Br 62a_100000709089_100000703298 [0,2,0,0,0,0|1,0,1]=4 4121 B12R1.26 CC(C#N)SCc1ccc(s1)Br 62a_100000703298_100000708592 [0,2,0,0,0,0|0,1,1]=4 4122 B12R1.26 CC(C#N)SCc1ccc(s1)Br 62a_100000708592_100000703298 [0,2,0,0,0,0|0,1,1]=4 4123 B12R1.26 CC(C#N)SCc1ccc(s1)Cl 62a_100000185097_100000703298 [0,2,0,0,0,0|0,1,1]=4 4124 B12R1.26 CC(C#N)SCc1ccc(s1)Cl 62a_100000703298_100000185097 [0,2,0,0,0,0|0,1,1]=4 4125 B12R1.26 CC(CF)OCc1cc(cs1)Br 34a_100016041109_100000746031 [0,2,0,0,0,0|0,2,0]=4 4126 B12R1.26 CC(CF)OCc1cc(cs1)Br 7a_100016041109_100000746031 [0,2,0,0,0,0|0,2,0]=4 4127 B12R1.26 CC(CF)OCc1cc(no1)Br 7a_100016041109_100000709089 [0,2,0,0,0,0|1,1,0]=4 4128 B12R1.26 CC(CF)OCc1ccc(s1)Br 34a_100016041109_100000708592 [0,2,0,0,0,0|0,2,0]=4 4129 B12R1.26 CC(CF)OCc1ccc(s1)Br 7a_100016041109_100000708592 [0,2,0,0,0,0|0,2,0]=4 4130 B12R1.26 CC(CF)OCc1ccc(s1)Cl 34a_100016041109_100000185097 [0,2,0,0,0,0|0,2,0]=4 4131 B12R1.26 CC(CF)OCc1ccc(s1)Cl 7a_100016041109_100000185097 [0,2,0,0,0,0|0,2,0]=4 4132 B12R1.26 CC(CN)OCc1cc(cs1)Br 34a_100000210904_100000746031 [0,2,0,0,0,0|0,2,0]=4 4133 B12R1.26 CC(CN)OCc1ccc(s1)Br 34a_100000210904_100000708592 [0,2,0,0,0,0|0,2,0]=4 4134 B12R1.26 CC(CN)OCc1ccc(s1)Cl 34a_100000210904_100000185097 [0,2,0,0,0,0|0,2,0]=4 4135 B12R1.26 CC(CO)NCc1cc(cs1)Br 2230a_100000741024_100012180447 [0,2,0,0,0,0|1,1,0]=4 4136 B12R1.26 CC(CO)NCc1cc(cs1)Br 34a_100000741024_100012180447 [0,2,0,0,0,0|1,1,0]=4 4137 B12R1.26 CC(CO)NCc1cc(no1)Br 2230a_100015193020_100012180447 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.26 CC(CO)NCc1cc(no1)Br 34a_100015193020_100012180447 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.26 CC(CO)NCc1ccc(o1)Br 34a_100000708654_100012180447 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.26 CC(CO)NCc1ccc(s1)Cl 2230a_100000737310_100012180447 [0,2,0,0,0,0|1,1,0]=4 4141 B12R1.26 CC(CO)OCc1cc(cs1)Br 34a_100000238369_100012180447 [0,2,0,0,0,0|0,2,0]=4 4142 B12R1.26 CC(CO)OCc1cc(cs1)Br 7a_100000238369_100012180447 [0,2,0,0,0,0|0,2,0]=4 4143 B12R1.26 CC(CO)OCc1cc(no1)Br 34a_100009816691_100012180447 [0,2,0,0,0,0|1,1,0]=4 4144 B12R1.26 CC(CO)OCc1ccc(o1)Br 34a_100000246276_100012180447 [0,2,0,0,0,0|0,1,0]=3 4145 B12R1.26 CC(CO)OCc1ccc(o1)Br 7a_100000246276_100012180447 [0,2,0,0,0,0|0,1,0]=3 4146 B12R1.26 CC(CO)SCC1=CC(=O)OC1 62a_100012180447_100000716558 [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.26 CC(CO)SCc1cc(cs1)Br 62a_100012180447_100000746031 [0,2,0,0,0,0|0,1,0]=3 4148 B12R1.26 CC(CO)SCc1cc(no1)Br 62a_100012180447_100000709089 [0,2,0,0,0,0|1,0,0]=3 4149 B12R1.26 CC(CO)SCc1ccc(s1)Br 62a_100012180447_100000708592 [0,2,0,0,0,0|0,1,0]=3 4150 B12R1.26 CC(CO)SCc1ccc(s1)Cl 62a_100012180447_100000185097 [0,2,0,0,0,0|0,1,0]=3 4151 B12R1.26 CC(CO)SCc1ccn(n1)C 62a_100012180447_100000726502 [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.26 CC(CO)SCc1cn(cn1)C 62a_100012180447_100000717665 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.26 CC(CO)SCc1cnc(s1)Br 62a_100012180447_100000717027 [0,2,0,0,0,0|1,1,0]=4 4154 B12R1.26 CC(CO)SCc1cnc(s1)Cl 62a_100012180447_100000058068 [0,2,0,0,0,0|1,1,0]=4 4155 B12R1.26 CC(CO)SCc1csc(n1)Cl 62a_100012180447_100000024076 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.26 CCC(C)NCc1cc(c[nH]1)Br 270004a_100000209981_100000720742 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.26 CCC(C)NCc1cc(co1)Br 270004a_100000209981_100000747035 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.26 CCC(C)NCc1cc(cs1)Br 207a_100000209981_100000211722 [0,2,0,0,0,0|1,1,0]=4 4159 B12R1.26 CCC(C)NCc1cc(cs1)Br 2230a_100000209981_100000746031 [0,2,0,0,0,0|1,1,0]=4 4160 B12R1.26 CCC(C)NCc1cc(cs1)Br 2230a_100000741024_100000758301 [0,2,0,0,0,0|1,1,0]=4 4161 B12R1.26 CCC(C)NCc1cc(cs1)Br 270004a_100000209981_100000211722 [0,2,0,0,0,0|1,1,0]=4 4162 B12R1.26 CCC(C)NCc1cc(cs1)Br 34a_100000741024_100011215416 [0,2,0,0,0,0|1,1,0]=4 4163 B12R1.26 CCC(C)NCc1cc(cs1)C 207a_100000209981_100102525248 [0,2,0,0,0,0|1,1,0]=4 4164 B12R1.26 CCC(C)NCc1cc(cs1)C 2230a_100015204214_100000758301 [0,2,0,0,0,0|1,1,0]=4 4165 B12R1.26 CCC(C)NCc1cc(cs1)C 270004a_100000209981_100102525248 [0,2,0,0,0,0|1,1,0]=4 4166 B12R1.26 CCC(C)NCc1cc(cs1)C 34a_100015204214_100011215416 [0,2,0,0,0,0|1,1,0]=4 4167 B12R1.26 CCC(C)NCc1cc(cs1)Cl 207a_100000209981_100000102487 [0,2,0,0,0,0|1,1,0]=4 4168 B12R1.26 CCC(C)NCc1cc(cs1)Cl 270004a_100000209981_100000102487 [0,2,0,0,0,0|1,1,0]=4 4169 B12R1.26 CCC(C)NCc1cc(cs1)I 207a_100000209981_100010179861 [0,2,0,0,0,0|1,1,0]=4 4170 B12R1.26 CCC(C)NCc1cc(no1)Br 2230a_100015193020_100000758301 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.26 CCC(C)NCc1cc(no1)Br 270004a_100000209981_100009819588 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.26 CCC(C)NCc1cc(no1)Br 34a_100015193020_100011215416 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.26 CCC(C)NCc1cc(no1)C 207a_100000209981_100011794430 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.26 CCC(C)NCc1cc(no1)C 2230a_100000209981_100000707947 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.26 CCC(C)NCc1cc(no1)C 2230a_100000745748_100000758301 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.26 CCC(C)NCc1cc(no1)C 270004a_100000209981_100011794430 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.26 CCC(C)NCc1cc(no1)C 34a_100000745748_100011215416 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.26 CCC(C)NCc1ccc(o1)Br 207a_100000209981_100000185145 [0,2,0,0,0,0|1,0,0]=3 4179 B12R1.26 CCC(C)NCc1ccc(o1)Br 270004a_100000209981_100000185145 [0,2,0,0,0,0|1,0,0]=3 4180 B12R1.26 CCC(C)NCc1ccc(o1)Br 34a_100000708654_100011215416 [0,2,0,0,0,0|1,0,0]=3 4181 B12R1.26 CCC(C)NCc1ccc(o1)C 207a_100000209981_100000183696 [0,2,0,0,0,0|1,0,0]=3 4182 B12R1.26 CCC(C)NCc1ccc(o1)C 270004a_100000209981_100000183696 [0,2,0,0,0,0|1,0,0]=3 4183 B12R1.26 CCC(C)NCc1ccc(o1)C 34a_100011194323_100011215416 [0,2,0,0,0,0|1,0,0]=3 4184 B12R1.26 CCC(C)NCc1ccc(o1)Cl 207a_100000209981_100000188459 [0,2,0,0,0,0|1,0,0]=3 4185 B12R1.26 CCC(C)NCc1ccc(o1)Cl 270004a_100000209981_100000188459 [0,2,0,0,0,0|1,0,0]=3 4186 B12R1.26 CCC(C)NCc1ccc(o1)I 207a_100000209981_100000186757 [0,2,0,0,0,0|1,0,0]=3 4187 B12R1.26 CCC(C)NCc1ccc(s1)Br 207a_100000209981_100000179771 [0,2,0,0,0,0|1,1,0]=4 4188 B12R1.26 CCC(C)NCc1ccc(s1)Br 2230a_100000209981_100000708592 [0,2,0,0,0,0|1,1,0]=4 4189 B12R1.26 CCC(C)NCc1ccc(s1)Br 270004a_100000209981_100000179771 [0,2,0,0,0,0|1,1,0]=4 4190 B12R1.26 CCC(C)NCc1ccc(s1)C 207a_100000209981_100000211121 [0,2,0,0,0,0|1,1,0]=4 4191 B12R1.26 CCC(C)NCc1ccc(s1)C 2230a_100000238518_100000758301 [0,2,0,0,0,0|1,1,0]=4 4192 B12R1.26 CCC(C)NCc1ccc(s1)C 270004a_100000209981_100000211121 [0,2,0,0,0,0|1,1,0]=4 4193 B12R1.26 CCC(C)NCc1ccc(s1)Cl 207a_100000209981_100000242774 [0,2,0,0,0,0|1,1,0]=4 4194 B12R1.26 CCC(C)NCc1ccc(s1)Cl 2230a_100000209981_100000185097 [0,2,0,0,0,0|1,1,0]=4 4195 B12R1.26 CCC(C)NCc1ccc(s1)Cl 2230a_100000737310_100000758301 [0,2,0,0,0,0|1,1,0]=4 4196 B12R1.26 CCC(C)NCc1ccc(s1)Cl 270004a_100000209981_100000242774 [0,2,0,0,0,0|1,1,0]=4 4197 B12R1.26 CCC(C)NCc1cnc(o1)C 207a_100000209981_100000084308 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.26 CCC(C)NCc1cnc(o1)C 270004a_100000209981_100000084308 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.26 CCC(C)NCc1ncc(o1)C 2230a_100138411809_100000758301 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.26 CCC(C)NCc1ncc(o1)C 34a_100138411809_100011215416 [0,2,0,0,0,0|2,0,0]=4 4201 B12R1.26 CCC(C)OCc1cc(cs1)Br 34a_100000238369_100011215416 [0,2,0,0,0,0|0,2,0]=4 4202 B12R1.26 CCC(C)OCc1cc(cs1)Br 7a_100000210228_100000746031 [0,2,0,0,0,0|0,2,0]=4 4203 B12R1.26 CCC(C)OCc1cc(cs1)Br 7a_100000238369_100000758301 [0,2,0,0,0,0|0,2,0]=4 4204 B12R1.26 CCC(C)OCc1cc(cs1)C 34a_200000068372_100011215416 [0,2,0,0,0,0|0,2,0]=4 4205 B12R1.26 CCC(C)OCc1cc(cs1)C 7a_200000068372_100000758301 [0,2,0,0,0,0|0,2,0]=4 4206 B12R1.26 CCC(C)OCc1cc(no1)Br 34a_100009816691_100011215416 [0,2,0,0,0,0|1,1,0]=4 4207 B12R1.26 CCC(C)OCc1cc(no1)Br 7a_100000210228_100000709089 [0,2,0,0,0,0|1,1,0]=4 4208 B12R1.26 CCC(C)OCc1cc(no1)C 34a_100000684692_100011215416 [0,2,0,0,0,0|1,1,0]=4 4209 B12R1.26 CCC(C)OCc1cc(no1)C 7a_100000210228_100000707947 [0,2,0,0,0,0|1,1,0]=4 4210 B12R1.26 CCC(C)OCc1ccc(o1)Br 34a_100000246276_100011215416 [0,2,0,0,0,0|0,1,0]=3 4211 B12R1.26 CCC(C)OCc1ccc(o1)Br 7a_100000246276_100000758301 [0,2,0,0,0,0|0,1,0]=3 4212 B12R1.26 CCC(C)OCc1ccc(o1)C 34a_100011232665_100011215416 [0,2,0,0,0,0|0,1,0]=3 4213 B12R1.26 CCC(C)OCc1ccc(o1)C 7a_100011232665_100000758301 [0,2,0,0,0,0|0,1,0]=3 4214 B12R1.26 CCC(C)OCc1ccc(s1)Br 7a_100000210228_100000708592 [0,2,0,0,0,0|0,2,0]=4 4215 B12R1.26 CCC(C)OCc1ccc(s1)C 34a_100000238367_100011215416 [0,2,0,0,0,0|0,2,0]=4 4216 B12R1.26 CCC(C)OCc1ccc(s1)Cl 7a_100000210228_100000185097 [0,2,0,0,0,0|0,2,0]=4 4217 B12R1.26 CCC(C)SCC1=CC(=O)OC1 62a_100000716558_100000758301 [0,2,0,0,0,0|2,0,0]=4 4218 B12R1.26 CCC(C)SCC1=CC(=O)OC1 62a_100000758301_100000716558 [0,2,0,0,0,0|2,0,0]=4 4219 B12R1.26 CCC(C)SCc1cc(cs1)Br 62a_100000746031_100000758301 [0,2,0,0,0,0|0,1,0]=3 4220 B12R1.26 CCC(C)SCc1cc(cs1)Br 62a_100000758301_100000746031 [0,2,0,0,0,0|0,1,0]=3 4221 B12R1.26 CCC(C)SCc1cc(no1)Br 62a_100000709089_100000758301 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.26 CCC(C)SCc1cc(no1)Br 62a_100000758301_100000709089 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.26 CCC(C)SCc1cc(no1)C 62a_100000707947_100000758301 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.26 CCC(C)SCc1cc(no1)C 62a_100000758301_100000707947 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.26 CCC(C)SCc1cc(on1)C 62a_100000199038_100000758301 [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.26 CCC(C)SCc1cc(on1)C 62a_100000758301_100000199038 [0,2,0,0,0,0|2,0,0]=4 4227 B12R1.26 CCC(C)SCc1ccc(s1)Br 62a_100000708592_100000758301 [0,2,0,0,0,0|0,1,0]=3 4228 B12R1.26 CCC(C)SCc1ccc(s1)Br 62a_100000758301_100000708592 [0,2,0,0,0,0|0,1,0]=3 4229 B12R1.26 CCC(C)SCc1ccc(s1)Cl 62a_100000185097_100000758301 [0,2,0,0,0,0|0,1,0]=3 4230 B12R1.26 CCC(C)SCc1ccc(s1)Cl 62a_100000758301_100000185097 [0,2,0,0,0,0|0,1,0]=3 4231 B12R1.26 CCC(C)SCc1ccn(n1)C 62a_100000726502_100000758301 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.26 CCC(C)SCc1ccn(n1)C 62a_100000758301_100000726502 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.26 CCC(C)SCc1cn(cn1)C 62a_100000717665_100000758301 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.26 CCC(C)SCc1cn(cn1)C 62a_100000758301_100000717665 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.26 CCC(C)SCc1cnc(s1)Br 62a_100000717027_100000758301 [0,2,0,0,0,0|1,1,0]=4 4236 B12R1.26 CCC(C)SCc1cnc(s1)Br 62a_100000758301_100000717027 [0,2,0,0,0,0|1,1,0]=4 4237 B12R1.26 CCC(C)SCc1cnc(s1)C 62a_100000758301_100020635045 [0,2,0,0,0,0|1,1,0]=4 4238 B12R1.26 CCC(C)SCc1cnc(s1)C 62a_100020635045_100000758301 [0,2,0,0,0,0|1,1,0]=4 4239 B12R1.26 CCC(C)SCc1cnc(s1)Cl 62a_100000058068_100000758301 [0,2,0,0,0,0|1,1,0]=4 4240 B12R1.26 CCC(C)SCc1cnc(s1)Cl 62a_100000758301_100000058068 [0,2,0,0,0,0|1,1,0]=4 4241 B12R1.26 CCC(C)SCc1csc(n1)C 62a_100000758301_100015186478 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.26 CCC(C)SCc1csc(n1)C 62a_100015186478_100000758301 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.26 CCC(C)SCc1csc(n1)Cl 62a_100000024076_100000758301 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.26 CCC(C)SCc1csc(n1)Cl 62a_100000758301_100000024076 [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.26 CCC(C)SCc1nc(no1)C 62a_100000735555_100000758301 [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.26 CCC(C)SCc1nc(no1)C 62a_100000758301_100000735555 [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.26 CCC(C)SCc1nnc(o1)C 62a_100000181450_100000758301 [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.26 CCC(C)SCc1nnc(o1)C 62a_100000758301_100000181450 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.26 COC(C)SCC1=CC(=O)OC1 62a_100000716558_100009879195 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.26 COC(C)SCC1=CC(=O)OC1 62a_100009879195_100000716558 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.26 COC(C)SCc1cc(cs1)Br 62a_100000746031_100009879195 [0,2,0,0,0,0|0,1,0]=3 4252 B12R1.26 COC(C)SCc1cc(cs1)Br 62a_100009879195_100000746031 [0,2,0,0,0,0|0,1,0]=3 4253 B12R1.26 COC(C)SCc1cc(no1)Br 62a_100000709089_100009879195 [0,2,0,0,0,0|1,0,0]=3 4254 B12R1.26 COC(C)SCc1cc(no1)Br 62a_100009879195_100000709089 [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.26 COC(C)SCc1cc(no1)C 62a_100000707947_100009879195 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.26 COC(C)SCc1cc(no1)C 62a_100009879195_100000707947 [0,2,0,0,0,0|1,0,0]=3 4257 B12R1.26 COC(C)SCc1cc(on1)C 62a_100000199038_100009879195 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.26 COC(C)SCc1cc(on1)C 62a_100009879195_100000199038 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.26 COC(C)SCc1ccc(s1)Br 62a_100000708592_100009879195 [0,2,0,0,0,0|0,1,0]=3 4260 B12R1.26 COC(C)SCc1ccc(s1)Br 62a_100009879195_100000708592 [0,2,0,0,0,0|0,1,0]=3 4261 B12R1.26 COC(C)SCc1ccc(s1)Cl 62a_100000185097_100009879195 [0,2,0,0,0,0|0,1,0]=3 4262 B12R1.26 COC(C)SCc1ccc(s1)Cl 62a_100009879195_100000185097 [0,2,0,0,0,0|0,1,0]=3 4263 B12R1.26 COC(C)SCc1ccn(n1)C 62a_100000726502_100009879195 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.26 COC(C)SCc1ccn(n1)C 62a_100009879195_100000726502 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.26 COC(C)SCc1cn(cn1)C 62a_100000717665_100009879195 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.26 COC(C)SCc1cn(cn1)C 62a_100009879195_100000717665 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.26 COC(C)SCc1cnc(s1)Br 62a_100000717027_100009879195 [0,2,0,0,0,0|1,1,0]=4 4268 B12R1.26 COC(C)SCc1cnc(s1)Br 62a_100009879195_100000717027 [0,2,0,0,0,0|1,1,0]=4 4269 B12R1.26 COC(C)SCc1cnc(s1)C 62a_100009879195_100020635045 [0,2,0,0,0,0|1,1,0]=4 4270 B12R1.26 COC(C)SCc1cnc(s1)C 62a_100020635045_100009879195 [0,2,0,0,0,0|1,1,0]=4 4271 B12R1.26 COC(C)SCc1cnc(s1)Cl 62a_100000058068_100009879195 [0,2,0,0,0,0|1,1,0]=4 4272 B12R1.26 COC(C)SCc1cnc(s1)Cl 62a_100009879195_100000058068 [0,2,0,0,0,0|1,1,0]=4 4273 B12R1.26 COC(C)SCc1csc(n1)C 62a_100009879195_100015186478 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.26 COC(C)SCc1csc(n1)C 62a_100015186478_100009879195 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.26 COC(C)SCc1csc(n1)Cl 62a_100000024076_100009879195 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.26 COC(C)SCc1csc(n1)Cl 62a_100009879195_100000024076 [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.26 COC(C)SCc1nc(no1)C 62a_100000735555_100009879195 [0,2,0,0,0,0|2,0,0]=4 4278 B12R1.26 COC(C)SCc1nc(no1)C 62a_100009879195_100000735555 [0,2,0,0,0,0|2,0,0]=4 4279 B12R1.26 COC(C)SCc1nnc(o1)C 62a_100000181450_100009879195 [0,2,0,0,0,0|2,0,0]=4 4280 B12R1.26 COC(C)SCc1nnc(o1)C 62a_100009879195_100000181450 [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.26 C[C@H](CF)NCc1cc(c[nH]1)Br 270004a_100102880703_100000720742 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.26 C[C@H](CF)NCc1cc(co1)Br 270004a_100102880703_100000747035 [0,2,0,0,0,0|1,0,0]=3 4283 B12R1.26 C[C@H](CF)NCc1cc(cs1)Br 207a_100102880703_100000211722 [0,2,0,0,0,0|1,1,0]=4 4284 B12R1.26 C[C@H](CF)NCc1cc(cs1)Br 270004a_100102880703_100000211722 [0,2,0,0,0,0|1,1,0]=4 4285 B12R1.26 C[C@H](CF)NCc1cc(cs1)Cl 207a_100102880703_100000102487 [0,2,0,0,0,0|1,1,0]=4 4286 B12R1.26 C[C@H](CF)NCc1cc(cs1)Cl 270004a_100102880703_100000102487 [0,2,0,0,0,0|1,1,0]=4 4287 B12R1.26 C[C@H](CF)NCc1cc(cs1)I 207a_100102880703_100010179861 [0,2,0,0,0,0|1,1,0]=4 4288 B12R1.26 C[C@H](CF)NCc1cc(no1)Br 270004a_100102880703_100009819588 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.26 C[C@H](CF)NCc1ccc(o1)Br 207a_100102880703_100000185145 [0,2,0,0,0,0|1,0,0]=3 4290 B12R1.26 C[C@H](CF)NCc1ccc(o1)Br 270004a_100102880703_100000185145 [0,2,0,0,0,0|1,0,0]=3 4291 B12R1.26 C[C@H](CF)NCc1ccc(o1)Cl 207a_100102880703_100000188459 [0,2,0,0,0,0|1,0,0]=3 4292 B12R1.26 C[C@H](CF)NCc1ccc(o1)Cl 270004a_100102880703_100000188459 [0,2,0,0,0,0|1,0,0]=3 4293 B12R1.26 C[C@H](CF)NCc1ccc(o1)I 207a_100102880703_100000186757 [0,2,0,0,0,0|1,0,0]=3 4294 B12R1.26 C[C@H](CF)NCc1ccc(s1)Br 207a_100102880703_100000179771 [0,2,0,0,0,0|1,1,0]=4 4295 B12R1.26 C[C@H](CF)NCc1ccc(s1)Br 270004a_100102880703_100000179771 [0,2,0,0,0,0|1,1,0]=4 4296 B12R1.26 C[C@H](CF)NCc1ccc(s1)Cl 207a_100102880703_100000242774 [0,2,0,0,0,0|1,1,0]=4 4297 B12R1.26 C[C@H](CF)NCc1ccc(s1)Cl 270004a_100102880703_100000242774 [0,2,0,0,0,0|1,1,0]=4 4298 B12R1.26 C[C@H](CO)NCc1cc(c[nH]1)Br 270004a_100000737577_100000720742 [0,2,0,0,0,0|2,0,0]=4 4299 B12R1.26 C[C@H](CO)NCc1cc(co1)Br 270004a_100000737577_100000747035 [0,2,0,0,0,0|1,0,0]=3 4300 B12R1.26 C[C@H](CO)NCc1cc(cs1)Br 207a_100000737577_100000211722 [0,2,0,0,0,0|1,1,0]=4 4301 B12R1.26 C[C@H](CO)NCc1cc(cs1)Br 2230a_100000737577_100000746031 [0,2,0,0,0,0|1,1,0]=4 4302 B12R1.26 C[C@H](CO)NCc1cc(cs1)Br 270004a_100000737577_100000211722 [0,2,0,0,0,0|1,1,0]=4 4303 B12R1.26 C[C@H](CO)NCc1cc(cs1)Cl 207a_100000737577_100000102487 [0,2,0,0,0,0|1,1,0]=4 4304 B12R1.26 C[C@H](CO)NCc1cc(cs1)Cl 270004a_100000737577_100000102487 [0,2,0,0,0,0|1,1,0]=4 4305 B12R1.26 C[C@H](CO)NCc1cc(cs1)I 207a_100000737577_100010179861 [0,2,0,0,0,0|1,1,0]=4 4306 B12R1.26 C[C@H](CO)NCc1cc(no1)Br 270004a_100000737577_100009819588 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.26 C[C@H](CO)NCc1ccc(o1)Br 207a_100000737577_100000185145 [0,2,0,0,0,0|1,0,0]=3 4308 B12R1.26 C[C@H](CO)NCc1ccc(o1)Br 270004a_100000737577_100000185145 [0,2,0,0,0,0|1,0,0]=3 4309 B12R1.26 C[C@H](CO)NCc1ccc(o1)Cl 207a_100000737577_100000188459 [0,2,0,0,0,0|1,0,0]=3 4310 B12R1.26 C[C@H](CO)NCc1ccc(o1)Cl 270004a_100000737577_100000188459 [0,2,0,0,0,0|1,0,0]=3 4311 B12R1.26 C[C@H](CO)NCc1ccc(o1)I 207a_100000737577_100000186757 [0,2,0,0,0,0|1,0,0]=3 4312 B12R1.26 C[C@H](CO)NCc1ccc(s1)Br 207a_100000737577_100000179771 [0,2,0,0,0,0|1,1,0]=4 4313 B12R1.26 C[C@H](CO)NCc1ccc(s1)Br 2230a_100000737577_100000708592 [0,2,0,0,0,0|1,1,0]=4 4314 B12R1.26 C[C@H](CO)NCc1ccc(s1)Br 270004a_100000737577_100000179771 [0,2,0,0,0,0|1,1,0]=4 4315 B12R1.26 C[C@H](CO)NCc1ccc(s1)Cl 207a_100000737577_100000242774 [0,2,0,0,0,0|1,1,0]=4 4316 B12R1.26 C[C@H](CO)NCc1ccc(s1)Cl 2230a_100000737577_100000185097 [0,2,0,0,0,0|1,1,0]=4 4317 B12R1.26 C[C@H](CO)NCc1ccc(s1)Cl 270004a_100000737577_100000242774 [0,2,0,0,0,0|1,1,0]=4 4318 B12R1.26 C[C@H](CO)SCC1=CC(=O)OC1 62a_100000716558_100016084084 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.26 C[C@H](CO)SCC1=CC(=O)OC1 62a_100016084084_100000716558 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.26 C[C@H](CO)SCc1cc(cs1)Br 62a_100000746031_100016084084 [0,2,0,0,0,0|0,1,0]=3 4321 B12R1.26 C[C@H](CO)SCc1cc(cs1)Br 62a_100016084084_100000746031 [0,2,0,0,0,0|0,1,0]=3 4322 B12R1.26 C[C@H](CO)SCc1cc(no1)Br 62a_100000709089_100016084084 [0,2,0,0,0,0|1,0,0]=3 4323 B12R1.26 C[C@H](CO)SCc1cc(no1)Br 62a_100016084084_100000709089 [0,2,0,0,0,0|1,0,0]=3 4324 B12R1.26 C[C@H](CO)SCc1ccc(s1)Br 62a_100000708592_100016084084 [0,2,0,0,0,0|0,1,0]=3 4325 B12R1.26 C[C@H](CO)SCc1ccc(s1)Br 62a_100016084084_100000708592 [0,2,0,0,0,0|0,1,0]=3 4326 B12R1.26 C[C@H](CO)SCc1ccc(s1)Cl 62a_100000185097_100016084084 [0,2,0,0,0,0|0,1,0]=3 4327 B12R1.26 C[C@H](CO)SCc1ccc(s1)Cl 62a_100016084084_100000185097 [0,2,0,0,0,0|0,1,0]=3 4328 B12R1.26 C[C@H](CO)SCc1ccn(n1)C 62a_100000726502_100016084084 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.26 C[C@H](CO)SCc1ccn(n1)C 62a_100016084084_100000726502 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.26 C[C@H](CO)SCc1cn(cn1)C 62a_100000717665_100016084084 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.26 C[C@H](CO)SCc1cn(cn1)C 62a_100016084084_100000717665 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.26 C[C@H](CO)SCc1cnc(s1)Br 62a_100000717027_100016084084 [0,2,0,0,0,0|1,1,0]=4 4333 B12R1.26 C[C@H](CO)SCc1cnc(s1)Br 62a_100016084084_100000717027 [0,2,0,0,0,0|1,1,0]=4 4334 B12R1.26 C[C@H](CO)SCc1cnc(s1)Cl 62a_100000058068_100016084084 [0,2,0,0,0,0|1,1,0]=4 4335 B12R1.26 C[C@H](CO)SCc1cnc(s1)Cl 62a_100016084084_100000058068 [0,2,0,0,0,0|1,1,0]=4 4336 B12R1.26 C[C@H](CO)SCc1csc(n1)Cl 62a_100000024076_100016084084 [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.26 C[C@H](CO)SCc1csc(n1)Cl 62a_100016084084_100000024076 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.26 Cc1cc(no1)CSC(C)CO 62a_100012180447_100000199038 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.26 Cc1cc(no1)CS[C@H](C)CO 62a_100000199038_100016084084 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.26 Cc1cc(no1)CS[C@H](C)CO 62a_100016084084_100000199038 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.26 Cc1cc(on1)CNC(C)CO 2230a_100000745748_100012180447 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.26 Cc1cc(on1)CNC(C)CO 34a_100000745748_100012180447 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.26 Cc1cc(on1)CN[C@H](C)CF 207a_100102880703_100011794430 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.26 Cc1cc(on1)CN[C@H](C)CF 270004a_100102880703_100011794430 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.26 Cc1cc(on1)CN[C@H](C)CO 207a_100000737577_100011794430 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.26 Cc1cc(on1)CN[C@H](C)CO 2230a_100000737577_100000707947 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.26 Cc1cc(on1)CN[C@H](C)CO 270004a_100000737577_100011794430 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.26 Cc1cc(on1)COC(C)CF 34a_100016041109_100000707947 [0,2,0,0,0,0|1,1,0]=4 4349 B12R1.26 Cc1cc(on1)COC(C)CF 7a_100016041109_100000707947 [0,2,0,0,0,0|1,1,0]=4 4350 B12R1.26 Cc1cc(on1)COC(C)CN 34a_100000210904_100000707947 [0,2,0,0,0,0|1,1,0]=4 4351 B12R1.26 Cc1cc(on1)COC(C)CO 34a_100000684692_100012180447 [0,2,0,0,0,0|1,1,0]=4 4352 B12R1.26 Cc1cc(on1)CSC(C)C#N 62a_100000703298_100000707947 [0,2,0,0,0,0|1,0,1]=4 4353 B12R1.26 Cc1cc(on1)CSC(C)C#N 62a_100000707947_100000703298 [0,2,0,0,0,0|1,0,1]=4 4354 B12R1.26 Cc1cc(on1)CSC(C)CO 62a_100012180447_100000707947 [0,2,0,0,0,0|1,0,0]=3 4355 B12R1.26 Cc1cc(on1)CS[C@H](C)CO 62a_100000707947_100016084084 [0,2,0,0,0,0|1,0,0]=3 4356 B12R1.26 Cc1cc(on1)CS[C@H](C)CO 62a_100016084084_100000707947 [0,2,0,0,0,0|1,0,0]=3 4357 B12R1.26 Cc1ccc(o1)CNC(C)CO 34a_100011194323_100012180447 [0,2,0,0,0,0|1,0,0]=3 4358 B12R1.26 Cc1ccc(o1)CN[C@H](C)CF 207a_100102880703_100000183696 [0,2,0,0,0,0|1,0,0]=3 4359 B12R1.26 Cc1ccc(o1)CN[C@H](C)CF 270004a_100102880703_100000183696 [0,2,0,0,0,0|1,0,0]=3 4360 B12R1.26 Cc1ccc(o1)CN[C@H](C)CO 207a_100000737577_100000183696 [0,2,0,0,0,0|1,0,0]=3 4361 B12R1.26 Cc1ccc(o1)CN[C@H](C)CO 270004a_100000737577_100000183696 [0,2,0,0,0,0|1,0,0]=3 4362 B12R1.26 Cc1ccc(o1)COC(C)C#N 7a_100011232665_100000703298 [0,2,0,0,0,0|0,1,1]=4 4363 B12R1.26 Cc1ccc(o1)COC(C)CO 34a_100011232665_100012180447 [0,2,0,0,0,0|0,1,0]=3 4364 B12R1.26 Cc1ccc(o1)COC(C)CO 7a_100011232665_100012180447 [0,2,0,0,0,0|0,1,0]=3 4365 B12R1.26 Cc1ccc(s1)CNC(C)CO 2230a_100000238518_100012180447 [0,2,0,0,0,0|1,1,0]=4 4366 B12R1.26 Cc1ccc(s1)CN[C@H](C)CF 207a_100102880703_100000211121 [0,2,0,0,0,0|1,1,0]=4 4367 B12R1.26 Cc1ccc(s1)CN[C@H](C)CF 270004a_100102880703_100000211121 [0,2,0,0,0,0|1,1,0]=4 4368 B12R1.26 Cc1ccc(s1)CN[C@H](C)CO 207a_100000737577_100000211121 [0,2,0,0,0,0|1,1,0]=4 4369 B12R1.26 Cc1ccc(s1)CN[C@H](C)CO 270004a_100000737577_100000211121 [0,2,0,0,0,0|1,1,0]=4 4370 B12R1.26 Cc1ccc(s1)COC(C)CO 34a_100000238367_100012180447 [0,2,0,0,0,0|0,2,0]=4 4371 B12R1.26 Cc1cnc(o1)CNC(C)CO 2230a_100138411809_100012180447 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.26 Cc1cnc(o1)CNC(C)CO 34a_100138411809_100012180447 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.26 Cc1csc(c1)CNC(C)CO 2230a_100015204214_100012180447 [0,2,0,0,0,0|1,1,0]=4 4374 B12R1.26 Cc1csc(c1)CNC(C)CO 34a_100015204214_100012180447 [0,2,0,0,0,0|1,1,0]=4 4375 B12R1.26 Cc1csc(c1)CN[C@H](C)CF 207a_100102880703_100102525248 [0,2,0,0,0,0|1,1,0]=4 4376 B12R1.26 Cc1csc(c1)CN[C@H](C)CF 270004a_100102880703_100102525248 [0,2,0,0,0,0|1,1,0]=4 4377 B12R1.26 Cc1csc(c1)CN[C@H](C)CO 207a_100000737577_100102525248 [0,2,0,0,0,0|1,1,0]=4 4378 B12R1.26 Cc1csc(c1)CN[C@H](C)CO 270004a_100000737577_100102525248 [0,2,0,0,0,0|1,1,0]=4 4379 B12R1.26 Cc1csc(c1)COC(C)CO 34a_200000068372_100012180447 [0,2,0,0,0,0|0,2,0]=4 4380 B12R1.26 Cc1csc(c1)COC(C)CO 7a_200000068372_100012180447 [0,2,0,0,0,0|0,2,0]=4 4381 B12R1.26 Cc1nc(cs1)CSC(C)CO 62a_100012180447_100015186478 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.26 Cc1nc(cs1)CS[C@H](C)CO 62a_100015186478_100016084084 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.26 Cc1nc(cs1)CS[C@H](C)CO 62a_100016084084_100015186478 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.26 Cc1ncc(o1)CN[C@H](C)CF 207a_100102880703_100000084308 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.26 Cc1ncc(o1)CN[C@H](C)CF 270004a_100102880703_100000084308 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.26 Cc1ncc(o1)CN[C@H](C)CO 207a_100000737577_100000084308 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.26 Cc1ncc(o1)CN[C@H](C)CO 270004a_100000737577_100000084308 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.26 Cc1ncc(s1)CSC(C)CO 62a_100012180447_100020635045 [0,2,0,0,0,0|1,1,0]=4 4389 B12R1.26 Cc1ncc(s1)CS[C@H](C)CO 62a_100016084084_100020635045 [0,2,0,0,0,0|1,1,0]=4 4390 B12R1.26 Cc1ncc(s1)CS[C@H](C)CO 62a_100020635045_100016084084 [0,2,0,0,0,0|1,1,0]=4 4391 B12R1.26 Cc1nnc(o1)CSC(C)CO 62a_100012180447_100000181450 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.26 Cc1nnc(o1)CS[C@H](C)CO 62a_100000181450_100016084084 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.26 Cc1nnc(o1)CS[C@H](C)CO 62a_100016084084_100000181450 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.26 Cc1noc(n1)CSC(C)CO 62a_100012180447_100000735555 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.26 Cc1noc(n1)CS[C@H](C)CO 62a_100000735555_100016084084 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.26 Cc1noc(n1)CS[C@H](C)CO 62a_100016084084_100000735555 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.51 C#CCC(C)OCc1ncco1 34a_100000685586_103436540062 [0,2,0,0,0,0|1,1,0]=4 4398 B12R1.51 C#CCC(C)OCc1ncco1 7a_100000685586_103436540062 [0,2,0,0,0,0|1,1,0]=4 4399 B12R1.51 C/C=C/C(C)OCc1ncco1 34a_200102604097_103436540062 [0,2,0,0,0,0|1,1,0]=4 4400 B12R1.51 C=CC[C@@H](C)OCc1ncco1 34a_100000731007_103436540062 [0,2,0,0,0,0|1,1,0]=4 4401 B12R1.51 C=CC[C@@H](C)OCc1ncco1 7a_100000731007_103436540062 [0,2,0,0,0,0|1,1,0]=4 4402 B12R1.51 CC#CC(C)OCc1ncco1 34a_100011216543_103436540062 [0,2,0,0,0,0|1,1,0]=4 4403 B12R1.51 CC(CC#N)NCc1ccco1 2230a_100000185738_100009813641 [0,2,0,0,0,0|1,0,0]=3 4404 B12R1.51 CC(CC#N)NCc1cccs1 2230a_100000211653_100009813641 [0,2,0,0,0,0|1,1,0]=4 4405 B12R1.51 CC(CC#N)NCc1ncco1 2230a_100016994969_100009813641 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.51 CC(CC#N)SCc1c[nH]cn1 62a_100000707719_100009813641 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.51 CC(CC#N)SCc1c[nH]cn1 62a_100009813641_100000707719 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.51 CC(CC#N)SCc1ccn[nH]1 62a_100000728653_100009813641 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.51 CC(CC#N)SCc1ccn[nH]1 62a_100009813641_100000728653 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.51 CC(CC#N)SCc1ccon1 62a_100000234950_100009813641 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.51 CC(CC#N)SCc1ccon1 62a_100009813641_100000234950 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.51 CC(CC#N)SCc1ccsc1 62a_100009813641_100011233845 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.51 CC(CC#N)SCc1ccsc1 62a_100011261437_100009813641 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.51 CC(CC#N)SCc1cncs1 62a_100009813641_100015185245 [0,2,0,0,0,0|1,1,0]=4 4415 B12R1.51 CC(CC#N)SCc1cncs1 62a_100015185245_100009813641 [0,2,0,0,0,0|1,1,0]=4 4416 B12R1.51 CC(CC#N)SCc1cscn1 62a_100000205941_100009813641 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.51 CC(CC#N)SCc1cscn1 62a_100009813641_100000205941 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.51 CC(CC#N)SCc1ncc[nH]1 62a_100009813641_100016991755 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.51 CC(CC#N)SCc1ncc[nH]1 62a_100016991755_100009813641 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.51 CC(CC#N)SCc1ncco1 62a_100009813641_103436540062 [0,2,0,0,0,0|1,0,0]=3 4421 B12R1.51 CC(CC#N)SCc1ncco1 62a_103436540062_100009813641 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.51 CC(CC#N)SCc1nccs1 62a_100009813641_100015184050 [0,2,0,0,0,0|1,1,0]=4 4423 B12R1.51 CC(CC#N)SCc1nccs1 62a_100015184050_100009813641 [0,2,0,0,0,0|1,1,0]=4 4424 B12R1.51 CC(CCBr)OCc1ncco1 34a_100012276601_103436540062 [0,2,0,0,0,0|1,1,0]=4 4425 B12R1.51 CC(CCO)NCc1ccco1 2230a_100000185738_100009893172 [0,2,0,0,0,0|1,0,0]=3 4426 B12R1.51 CC(CCO)NCc1ccco1 34a_100000185738_100009893172 [0,2,0,0,0,0|1,0,0]=3 4427 B12R1.51 CC(CCO)NCc1cccs1 2230a_100000211653_100009893172 [0,2,0,0,0,0|1,1,0]=4 4428 B12R1.51 CC(CCO)NCc1ncco1 2230a_100016994969_100009893172 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.51 CC(CCO)OCc1ccco1 34a_100000210059_100009893172 [0,2,0,0,0,0|0,1,0]=3 4430 B12R1.51 CC(CCO)OCc1cccs1 34a_100000211240_100009893172 [0,2,0,0,0,0|0,2,0]=4 4431 B12R1.51 CC(CCO)OCc1ccno1 34a_100000740478_100009893172 [0,2,0,0,0,0|1,1,0]=4 4432 B12R1.51 CC(CCO)OCc1ncco1 34a_100000062594_100009893172 [0,2,0,0,0,0|1,1,0]=4 4433 B12R1.51 CC(CCO)SCc1c[nH]cn1 62a_100000707719_100009893172 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.51 CC(CCO)SCc1c[nH]cn1 62a_100009893172_100000707719 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.51 CC(CCO)SCc1ccn[nH]1 62a_100000728653_100009893172 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.51 CC(CCO)SCc1ccn[nH]1 62a_100009893172_100000728653 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.51 CC(CCO)SCc1ccon1 62a_100000234950_100009893172 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.51 CC(CCO)SCc1ccon1 62a_100009893172_100000234950 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.51 CC(CCO)SCc1ccsc1 62a_100009893172_100011233845 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.51 CC(CCO)SCc1ccsc1 62a_100011261437_100009893172 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.51 CC(CCO)SCc1cncs1 62a_100009893172_100015185245 [0,2,0,0,0,0|1,1,0]=4 4442 B12R1.51 CC(CCO)SCc1cncs1 62a_100015185245_100009893172 [0,2,0,0,0,0|1,1,0]=4 4443 B12R1.51 CC(CCO)SCc1cscn1 62a_100000205941_100009893172 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.51 CC(CCO)SCc1cscn1 62a_100009893172_100000205941 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.51 CC(CCO)SCc1ncc[nH]1 62a_100009893172_100016991755 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.51 CC(CCO)SCc1ncc[nH]1 62a_100016991755_100009893172 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.51 CC(CCO)SCc1ncco1 62a_100009893172_103436540062 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.51 CC(CCO)SCc1ncco1 62a_103436540062_100009893172 [0,2,0,0,0,0|1,0,0]=3 4449 B12R1.51 CC(CCO)SCc1nccs1 62a_100009893172_100015184050 [0,2,0,0,0,0|1,1,0]=4 4450 B12R1.51 CC(CCO)SCc1nccs1 62a_100015184050_100009893172 [0,2,0,0,0,0|1,1,0]=4 4451 B12R1.51 CC(CCc1ccco1)NCF 34a_100000199034_100015361967 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.51 CCCC(C)NCc1ccco1 207a_100000741246_100000186105 [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.51 CCCC(C)NCc1ccco1 2230a_100000185738_100000766640 [0,2,0,0,0,0|1,0,0]=3 4456 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000185738_100000211909 [0,2,0,0,0,0|1,0,0]=3 4457 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000741246_100000186105 [0,2,0,0,0,0|1,0,0]=3 4458 B12R1.51 CCCC(C)NCc1ccco1 34a_100000185738_100000766640 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.51 CCCC(C)NCc1cccs1 207a_100000741246_100000209959 [0,2,0,0,0,0|1,1,0]=4 4460 B12R1.51 CCCC(C)NCc1cccs1 2230a_100000211653_100000766640 [0,2,0,0,0,0|1,1,0]=4 4461 B12R1.51 CCCC(C)NCc1cccs1 270004a_100000211653_100000211909 [0,2,0,0,0,0|1,1,0]=4 4462 B12R1.51 CCCC(C)NCc1cccs1 270004a_100000741246_100000209959 [0,2,0,0,0,0|1,1,0]=4 4463 B12R1.51 CCCC(C)NCc1cnco1 270004a_100000741246_100000064291 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.51 CCCC(C)NCc1cnco1 270004a_100020634212_100000211909 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.51 CCCC(C)NCc1ncco1 2230a_100000741246_103436540062 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.51 CCCC(C)NCc1ncco1 2230a_100016994969_100000766640 [0,2,0,0,0,0|2,0,0]=4 4467 B12R1.51 CCCC(C)NCc1ncco1 270004a_100000741246_100000064290 [0,2,0,0,0,0|2,0,0]=4 4468 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [0,2,0,0,0,0|0,1,0]=3 4469 B12R1.51 CCCC(C)OCc1cccs1 34a_100000211240_100000766640 [0,2,0,0,0,0|0,2,0]=4 4470 B12R1.51 CCCC(C)OCc1ccno1 34a_100000740478_100000766640 [0,2,0,0,0,0|1,1,0]=4 4471 B12R1.51 CCCC(C)OCc1ncco1 34a_100000062594_100000766640 [0,2,0,0,0,0|1,1,0]=4 4472 B12R1.51 CCCC(C)OCc1ncco1 34a_100000764384_103436540062 [0,2,0,0,0,0|1,1,0]=4 4473 B12R1.51 CCCC(C)OCc1ncco1 7a_100000764384_103436540062 [0,2,0,0,0,0|1,1,0]=4 4474 B12R1.51 CCCC(C)SCc1c[nH]cn1 62a_100000707719_100000766640 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.51 CCCC(C)SCc1c[nH]cn1 62a_100000766640_100000707719 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.51 CCCC(C)SCc1ccn[nH]1 62a_100000728653_100000766640 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.51 CCCC(C)SCc1ccn[nH]1 62a_100000766640_100000728653 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.51 CCCC(C)SCc1ccon1 62a_100000234950_100000766640 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.51 CCCC(C)SCc1ccon1 62a_100000766640_100000234950 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.51 CCCC(C)SCc1ccsc1 62a_100000766640_100011233845 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.51 CCCC(C)SCc1ccsc1 62a_100011261437_100000766640 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.51 CCCC(C)SCc1cncs1 62a_100000766640_100015185245 [0,2,0,0,0,0|1,1,0]=4 4483 B12R1.51 CCCC(C)SCc1cncs1 62a_100015185245_100000766640 [0,2,0,0,0,0|1,1,0]=4 4484 B12R1.51 CCCC(C)SCc1cscn1 62a_100000205941_100000766640 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.51 CCCC(C)SCc1cscn1 62a_100000766640_100000205941 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.51 CCCC(C)SCc1ncc[nH]1 62a_100000766640_100016991755 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.51 CCCC(C)SCc1ncc[nH]1 62a_100016991755_100000766640 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.51 CCCC(C)SCc1ncco1 62a_100000766640_103436540062 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.51 CCCC(C)SCc1ncco1 62a_103436540062_100000766640 [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.51 CCCC(C)SCc1nccs1 62a_100000766640_100015184050 [0,2,0,0,0,0|1,1,0]=4 4491 B12R1.51 CCCC(C)SCc1nccs1 62a_100015184050_100000766640 [0,2,0,0,0,0|1,1,0]=4 4492 B12R1.51 CCNC(C)CCc1ccco1 2230a_100000199034_100000210202 [0,2,0,0,0,0|1,0,0]=3 4493 B12R1.51 CCNC(C)CCc1ccco1 34a_100000199034_100000210202 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.51 COCC(C)NCc1ccco1 2230a_100000185738_100000765312 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.51 COCC(C)NCc1ccco1 270004a_100000185738_100000749346 [0,2,0,0,0,0|1,0,0]=3 4496 B12R1.51 COCC(C)NCc1ccco1 34a_100000185738_100000765312 [0,2,0,0,0,0|1,0,0]=3 4497 B12R1.51 COCC(C)NCc1cccs1 2230a_100000211653_100000765312 [0,2,0,0,0,0|1,1,0]=4 4498 B12R1.51 COCC(C)NCc1cccs1 270004a_100000211653_100000749346 [0,2,0,0,0,0|1,1,0]=4 4499 B12R1.51 COCC(C)NCc1cnco1 270004a_100020634212_100000749346 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.51 COCC(C)NCc1ncco1 2230a_100016994969_100000765312 [0,2,0,0,0,0|2,0,0]=4 4501 B12R1.51 COCC(C)OCc1ccco1 34a_100000210059_100000765312 [0,2,0,0,0,0|0,1,0]=3 4502 B12R1.51 COCC(C)OCc1cccs1 34a_100000211240_100000765312 [0,2,0,0,0,0|0,2,0]=4 4503 B12R1.51 COCC(C)OCc1ccno1 34a_100000740478_100000765312 [0,2,0,0,0,0|1,1,0]=4 4504 B12R1.51 COCC(C)OCc1ncco1 34a_100000062594_100000765312 [0,2,0,0,0,0|1,1,0]=4 4505 B12R1.51 COCC(C)SCc1c[nH]cn1 62a_100000707719_100000765312 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.51 COCC(C)SCc1c[nH]cn1 62a_100000765312_100000707719 [0,2,0,0,0,0|2,0,0]=4 4507 B12R1.51 COCC(C)SCc1ccn[nH]1 62a_100000728653_100000765312 [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.51 COCC(C)SCc1ccn[nH]1 62a_100000765312_100000728653 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.51 COCC(C)SCc1ccon1 62a_100000234950_100000765312 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.51 COCC(C)SCc1ccon1 62a_100000765312_100000234950 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.51 COCC(C)SCc1ccsc1 62a_100000765312_100011233845 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.51 COCC(C)SCc1ccsc1 62a_100011261437_100000765312 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.51 COCC(C)SCc1cncs1 62a_100000765312_100015185245 [0,2,0,0,0,0|1,1,0]=4 4514 B12R1.51 COCC(C)SCc1cncs1 62a_100015185245_100000765312 [0,2,0,0,0,0|1,1,0]=4 4515 B12R1.51 COCC(C)SCc1cscn1 62a_100000205941_100000765312 [0,2,0,0,0,0|2,0,0]=4 4516 B12R1.51 COCC(C)SCc1cscn1 62a_100000765312_100000205941 [0,2,0,0,0,0|2,0,0]=4 4517 B12R1.51 COCC(C)SCc1ncc[nH]1 62a_100000765312_100016991755 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.51 COCC(C)SCc1ncc[nH]1 62a_100016991755_100000765312 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.51 COCC(C)SCc1ncco1 62a_100000765312_103436540062 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.51 COCC(C)SCc1ncco1 62a_103436540062_100000765312 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.51 COCC(C)SCc1nccs1 62a_100000765312_100015184050 [0,2,0,0,0,0|1,1,0]=4 4522 B12R1.51 COCC(C)SCc1nccs1 62a_100015184050_100000765312 [0,2,0,0,0,0|1,1,0]=4 4523 B12R1.51 COC[C@@H](C)NCc1ccco1 207a_100000764878_100000186105 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.51 COC[C@@H](C)NCc1ccco1 270004a_100000764878_100000186105 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.51 COC[C@@H](C)NCc1cccs1 207a_100000764878_100000209959 [0,2,0,0,0,0|1,1,0]=4 4526 B12R1.51 COC[C@@H](C)NCc1cccs1 270004a_100000764878_100000209959 [0,2,0,0,0,0|1,1,0]=4 4527 B12R1.51 COC[C@@H](C)NCc1cnco1 270004a_100000764878_100000064291 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.51 COC[C@@H](C)NCc1ncco1 2230a_100000764878_103436540062 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.51 COC[C@@H](C)NCc1ncco1 270004a_100000764878_100000064290 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.51 COC[C@@H](C)OCc1ncco1 34a_100011934205_103436540062 [0,2,0,0,0,0|1,1,0]=4 4531 B12R1.51 CSCC(C)NCc1ccco1 270004a_100000185738_100011216314 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.51 CSCC(C)NCc1cccs1 270004a_100000211653_100011216314 [0,2,0,0,0,0|1,1,0]=4 4533 B12R1.51 CSCC(C)NCc1cnco1 270004a_100020634212_100011216314 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.51 C[C@@H](CC#N)NCc1ccco1 207a_100016994482_100000186105 [0,2,0,0,0,0|1,0,0]=3 4535 B12R1.51 C[C@@H](CC#N)NCc1cccs1 207a_100016994482_100000209959 [0,2,0,0,0,0|1,1,0]=4 4536 B12R1.51 C[C@@H](CC#N)NCc1ncco1 2230a_100016994482_103436540062 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.51 C[C@H](CCO)NCc1ccco1 207a_100000706166_100000186105 [0,2,0,0,0,0|1,0,0]=3 4538 B12R1.51 C[C@H](CCO)NCc1ccco1 270004a_100000706166_100000186105 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.51 C[C@H](CCO)NCc1cccs1 207a_100000706166_100000209959 [0,2,0,0,0,0|1,1,0]=4 4540 B12R1.51 C[C@H](CCO)NCc1cccs1 270004a_100000706166_100000209959 [0,2,0,0,0,0|1,1,0]=4 4541 B12R1.51 C[C@H](CCO)NCc1cnco1 270004a_100000706166_100000064291 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.51 C[C@H](CCO)NCc1ncco1 2230a_100000706166_103436540062 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.51 C[C@H](CCO)NCc1ncco1 270004a_100000706166_100000064290 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.51 C[C@H](CCO)NCc1ncco1 34a_100000706166_103436540062 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.108 C#CC(C)C(=O)Cc1ccco1 1458a_100011217309_200000035995 [0,2,0,0,0,0|1,0,1]=4 4546 B12R1.108 C=CC(C)N(C)Cc1ccco1 269982a_100000185268_100011215867 [0,2,0,0,0,0|1,0,1]=4 4547 B12R1.108 CC(C#N)C(=O)Cc1ccco1 1458a_100011217309_100000703298 [0,2,0,0,0,0|1,0,1]=4 4548 B12R1.108 CC(C#N)N(C)Cc1ccco1 2230a_100000185268_100000184139 [0,2,0,0,0,0|1,0,1]=4 4549 B12R1.108 CC(C#N)N(C)Cc1ccco1 269982a_100000185268_100000703298 [0,2,0,0,0,0|1,0,1]=4 4550 B12R1.108 CC(C#N)N(C)Cc1ccco1 270004a_100000745055_100000186105 [0,2,0,0,0,0|1,0,1]=4 4551 B12R1.108 CC(CO)N(C)Cc1ccco1 2230a_100000185268_100012180447 [0,2,0,0,0,0|1,0,0]=3 4552 B12R1.108 CC(CO)N(C)Cc1ccco1 270004a_100000693034_100000186105 [0,2,0,0,0,0|1,0,0]=3 4553 B12R1.108 CC(CO)N(C)Cc1cccs1 2230a_100000184426_100012180447 [0,2,0,0,0,0|1,1,0]=4 4554 B12R1.108 CC(CO)N(C)Cc1cccs1 270004a_100000693034_100000209959 [0,2,0,0,0,0|1,1,0]=4 4555 B12R1.108 CC(CO)N(C)Cc1cnco1 270004a_100000693034_100000064291 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.108 CC(CO)N(C)Cc1ncco1 2230a_100000693034_103436540062 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.108 CC(CO)N(C)Cc1ncco1 269982a_100000693034_103436540062 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.108 CC(CO)N(C)Cc1ncco1 270004a_100000693034_100000064290 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.108 CCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000758301 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.108 CCC(C)C(=O)Cc1ccco1 1458a_100011217309_100000758301 [0,2,0,0,0,0|1,0,0]=3 4561 B12R1.108 CCC(C)C(=O)Cc1cccs1 1458a_100000210189_100000758301 [0,2,0,0,0,0|1,1,0]=4 4562 B12R1.108 CCC(C)C(=O)Cc1ncco1 1458a_100011192722_103436540062 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.108 CCC(C)N(C)Cc1ccco1 2230a_100000185268_100000758301 [0,2,0,0,0,0|1,0,0]=3 4564 B12R1.108 CCC(C)N(C)Cc1ccco1 269982a_100000185268_100000758301 [0,2,0,0,0,0|1,0,0]=3 4565 B12R1.108 CCC(C)N(C)Cc1ccco1 270004a_100000741768_100000186105 [0,2,0,0,0,0|1,0,0]=3 4566 B12R1.108 CCC(C)N(C)Cc1cccs1 2230a_100000184426_100000758301 [0,2,0,0,0,0|1,1,0]=4 4567 B12R1.108 CCC(C)N(C)Cc1cccs1 269982a_100000184426_100000758301 [0,2,0,0,0,0|1,1,0]=4 4568 B12R1.108 CCC(C)N(C)Cc1cccs1 270004a_100000741768_100000209959 [0,2,0,0,0,0|1,1,0]=4 4569 B12R1.108 CCC(C)N(C)Cc1cnco1 270004a_100000741768_100000064291 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.108 CCC(C)N(C)Cc1ncco1 2230a_100000741768_103436540062 [0,2,0,0,0,0|2,0,0]=4 4571 B12R1.108 CCC(C)N(C)Cc1ncco1 269982a_100000741768_103436540062 [0,2,0,0,0,0|2,0,0]=4 4572 B12R1.108 CCC(C)N(C)Cc1ncco1 270004a_100000741768_100000064290 [0,2,0,0,0,0|2,0,0]=4 4573 B12R1.108 CCN(C)C(=O)Cc1ccco1 11a_100000225621_100011217309 [0,2,0,0,0,0|2,0,0]=4 4574 B12R1.108 CCN(C)C(=O)Cc1ccco1 527a_100000225621_100011217309 [0,2,0,0,0,0|2,0,0]=4 4575 B12R1.108 COC(C)C(=O)Cc1ncco1 1458a_100000743197_103436540062 [0,2,0,0,0,0|2,0,0]=4 4576 B12R1.108 COC(C)N(C)Cc1ccco1 269982a_100000185268_100009879195 [0,2,0,0,0,0|1,0,0]=3 4577 B12R1.108 COC(C)N(C)Cc1cccs1 269982a_100000184426_100009879195 [0,2,0,0,0,0|1,1,0]=4 4578 B12R1.108 CSC(C)C(=O)Cc1ncco1 1458a_100000149566_103436540062 [0,2,0,0,0,0|2,0,0]=4 4579 B12R1.108 C[C@H](CO)N(C)Cc1ccco1 269982a_100000185268_100016084084 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.108 C[C@H](CO)N(C)Cc1cccs1 269982a_100000184426_100016084084 [0,2,0,0,0,0|1,1,0]=4 4581 B12R1.196 C#CC(C)(C)NCc1ccco1 270004a_100000054563_100000186105 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.196 C#CC(C)(C)NCc1ccco1 34a_100000185738_100000038118 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.196 C#CC(C)(C)NCc1cccs1 270004a_100000054563_100000209959 [0,2,0,0,0,0|1,1,0]=4 4584 B12R1.196 C#CC(C)(C)NCc1cnco1 270004a_100000054563_100000064291 [0,2,0,0,0,0|2,0,0]=4 4585 B12R1.196 C#CC(C)(C)NCc1ncco1 270004a_100000054563_100000064290 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.196 C#CC(C)(C)NCc1ncco1 34a_100000054563_103436540062 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.196 C#CC(C)(C)OCc1ccco1 34a_100000210059_100000038118 [0,2,0,0,0,0|0,1,0]=3 4588 B12R1.196 C#CC(C)(C)OCc1cccs1 34a_100000211240_100000038118 [0,2,0,0,0,0|0,2,0]=4 4589 B12R1.196 C#CC(C)(C)OCc1ccno1 34a_100000740478_100000038118 [0,2,0,0,0,0|1,1,0]=4 4590 B12R1.196 C#CC(C)(C)OCc1ncco1 34a_100000062594_100000038118 [0,2,0,0,0,0|1,1,0]=4 4591 B12R1.196 C#CC(C)(C)OCc1ncco1 34a_100000189450_103436540062 [0,2,0,0,0,0|1,1,0]=4 4592 B12R1.196 C#CC(C)(C)OCc1ncco1 7a_100000189450_103436540062 [0,2,0,0,0,0|1,1,0]=4 4593 B12R1.196 C#CC(C)(C)SCc1c[nH]cn1 62a_100000038118_100000707719 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.196 C#CC(C)(C)SCc1c[nH]cn1 62a_100000707719_100000038118 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.196 C#CC(C)(C)SCc1ccn[nH]1 62a_100000038118_100000728653 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.196 C#CC(C)(C)SCc1ccn[nH]1 62a_100000728653_100000038118 [0,2,0,0,0,0|2,0,0]=4 4597 B12R1.196 C#CC(C)(C)SCc1ccon1 62a_100000038118_100000234950 [0,2,0,0,0,0|2,0,0]=4 4598 B12R1.196 C#CC(C)(C)SCc1ccon1 62a_100000234950_100000038118 [0,2,0,0,0,0|2,0,0]=4 4599 B12R1.196 C#CC(C)(C)SCc1ccsc1 62a_100000038118_100011233845 [0,2,0,0,0,0|2,0,0]=4 4600 B12R1.196 C#CC(C)(C)SCc1ccsc1 62a_100011261437_100000038118 [0,2,0,0,0,0|2,0,0]=4 4601 B12R1.196 C#CC(C)(C)SCc1cncs1 62a_100000038118_100015185245 [0,2,0,0,0,0|1,1,0]=4 4602 B12R1.196 C#CC(C)(C)SCc1cncs1 62a_100015185245_100000038118 [0,2,0,0,0,0|1,1,0]=4 4603 B12R1.196 C#CC(C)(C)SCc1cscn1 62a_100000038118_100000205941 [0,2,0,0,0,0|2,0,0]=4 4604 B12R1.196 C#CC(C)(C)SCc1cscn1 62a_100000205941_100000038118 [0,2,0,0,0,0|2,0,0]=4 4605 B12R1.196 C#CC(C)(C)SCc1ncc[nH]1 62a_100000038118_100016991755 [0,2,0,0,0,0|2,0,0]=4 4606 B12R1.196 C#CC(C)(C)SCc1ncc[nH]1 62a_100016991755_100000038118 [0,2,0,0,0,0|2,0,0]=4 4607 B12R1.196 C#CC(C)(C)SCc1ncco1 62a_100000038118_103436540062 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.196 C#CC(C)(C)SCc1ncco1 62a_103436540062_100000038118 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.196 C#CC(C)(C)SCc1nccs1 62a_100000038118_100015184050 [0,2,0,0,0,0|1,1,0]=4 4610 B12R1.196 C#CC(C)(C)SCc1nccs1 62a_100015184050_100000038118 [0,2,0,0,0,0|1,1,0]=4 4611 B12R1.196 C=CC(C)(C)OCc1ncco1 34a_100011215311_103436540062 [0,2,0,0,0,0|1,1,0]=4 4612 B12R1.196 C=CC(C)(C)OCc1ncco1 7a_100011215311_103436540062 [0,2,0,0,0,0|1,1,0]=4 4613 B12R1.196 CC(C)(C#N)NCc1ccco1 34a_100000185738_100011162410 [0,2,0,0,0,0|1,0,0]=3 4614 B12R1.196 CC(C)(C#N)OCc1ccco1 34a_100000210059_100011162410 [0,2,0,0,0,0|0,1,0]=3 4615 B12R1.196 CC(C)(C#N)OCc1cccs1 34a_100000211240_100011162410 [0,2,0,0,0,0|0,2,0]=4 4616 B12R1.196 CC(C)(C#N)OCc1ccno1 34a_100000740478_100011162410 [0,2,0,0,0,0|1,1,0]=4 4617 B12R1.196 CC(C)(C#N)OCc1ncco1 34a_100000062594_100011162410 [0,2,0,0,0,0|1,1,0]=4 4618 B12R1.196 CC(C)(C#N)OCc1ncco1 34a_200015195151_103436540062 [0,2,0,0,0,0|1,1,0]=4 4619 B12R1.196 CC(C)(C#N)SCc1c[nH]cn1 62a_100000707719_100011162410 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.196 CC(C)(C#N)SCc1c[nH]cn1 62a_100011162410_100000707719 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.196 CC(C)(C#N)SCc1ccn[nH]1 62a_100000728653_100011162410 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.196 CC(C)(C#N)SCc1ccn[nH]1 62a_100011162410_100000728653 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.196 CC(C)(C#N)SCc1ccon1 62a_100000234950_100011162410 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.196 CC(C)(C#N)SCc1ccon1 62a_100011162410_100000234950 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.196 CC(C)(C#N)SCc1ccsc1 62a_100011162410_100011233845 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.196 CC(C)(C#N)SCc1ccsc1 62a_100011261437_100011162410 [0,2,0,0,0,0|2,0,0]=4 4627 B12R1.196 CC(C)(C#N)SCc1cncs1 62a_100011162410_100015185245 [0,2,0,0,0,0|1,1,0]=4 4628 B12R1.196 CC(C)(C#N)SCc1cncs1 62a_100015185245_100011162410 [0,2,0,0,0,0|1,1,0]=4 4629 B12R1.196 CC(C)(C#N)SCc1cscn1 62a_100000205941_100011162410 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.196 CC(C)(C#N)SCc1cscn1 62a_100011162410_100000205941 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.196 CC(C)(C#N)SCc1ncc[nH]1 62a_100011162410_100016991755 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.196 CC(C)(C#N)SCc1ncc[nH]1 62a_100016991755_100011162410 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.196 CC(C)(C#N)SCc1ncco1 62a_100011162410_103436540062 [0,2,0,0,0,0|1,0,0]=3 4634 B12R1.196 CC(C)(C#N)SCc1ncco1 62a_103436540062_100011162410 [0,2,0,0,0,0|1,0,0]=3 4635 B12R1.196 CC(C)(C#N)SCc1nccs1 62a_100011162410_100015184050 [0,2,0,0,0,0|1,1,0]=4 4636 B12R1.196 CC(C)(C#N)SCc1nccs1 62a_100015184050_100011162410 [0,2,0,0,0,0|1,1,0]=4 4637 B12R1.196 CC(C)(CCl)OCc1ncco1 7a_100000764493_103436540062 [0,2,0,0,0,0|1,1,0]=4 4638 B12R1.196 CC(C)(CO)CSc1ccco1 62a_100009813988_100009814098 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.196 CC(C)(CO)CSc1ccco1 62a_100009814098_100009813988 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.196 CC(C)(CO)NCc1ccco1 207a_100000210608_100000186105 [0,2,0,0,0,0|1,0,0]=3 4641 B12R1.196 CC(C)(CO)NCc1ccco1 270004a_100000210608_100000186105 [0,2,0,0,0,0|1,0,0]=3 4642 B12R1.196 CC(C)(CO)NCc1cccs1 207a_100000210608_100000209959 [0,2,0,0,0,0|1,1,0]=4 4643 B12R1.196 CC(C)(CO)NCc1cccs1 270004a_100000210608_100000209959 [0,2,0,0,0,0|1,1,0]=4 4644 B12R1.196 CC(C)(CO)NCc1cnco1 270004a_100000210608_100000064291 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.196 CC(C)(CO)NCc1ncco1 2230a_100000210608_103436540062 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.196 CC(C)(CO)NCc1ncco1 270004a_100000210608_100000064290 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.196 CCC(C)(C)NCc1ccco1 207a_100000211385_100000186105 [0,2,0,0,0,0|1,0,0]=3 4648 B12R1.196 CCC(C)(C)NCc1ccco1 270004a_100000211385_100000186105 [0,2,0,0,0,0|1,0,0]=3 4649 B12R1.196 CCC(C)(C)NCc1cccs1 207a_100000211385_100000209959 [0,2,0,0,0,0|1,1,0]=4 4650 B12R1.196 CCC(C)(C)NCc1cccs1 270004a_100000211385_100000209959 [0,2,0,0,0,0|1,1,0]=4 4651 B12R1.196 CCC(C)(C)NCc1cnco1 270004a_100000211385_100000064291 [0,2,0,0,0,0|2,0,0]=4 4652 B12R1.196 CCC(C)(C)NCc1ncco1 2230a_100000211385_103436540062 [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.196 CCC(C)(C)NCc1ncco1 270004a_100000211385_100000064290 [0,2,0,0,0,0|2,0,0]=4 4654 B12R1.196 CCC(C)(C)OCc1ncco1 7a_100000210230_103436540062 [0,2,0,0,0,0|1,1,0]=4 4655 B12R1.196 CCC(C)(C)SCc1c[nH]cn1 62a_100000032637_100000707719 [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.196 CCC(C)(C)SCc1c[nH]cn1 62a_100000707719_100000032637 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.196 CCC(C)(C)SCc1ccn[nH]1 62a_100000032637_100000728653 [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.196 CCC(C)(C)SCc1ccn[nH]1 62a_100000728653_100000032637 [0,2,0,0,0,0|2,0,0]=4 4659 B12R1.196 CCC(C)(C)SCc1ccon1 62a_100000032637_100000234950 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.196 CCC(C)(C)SCc1ccon1 62a_100000234950_100000032637 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.196 CCC(C)(C)SCc1ccsc1 62a_100000032637_100011233845 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.196 CCC(C)(C)SCc1ccsc1 62a_100011261437_100000032637 [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.196 CCC(C)(C)SCc1cncs1 62a_100000032637_100015185245 [0,2,0,0,0,0|1,1,0]=4 4664 B12R1.196 CCC(C)(C)SCc1cncs1 62a_100015185245_100000032637 [0,2,0,0,0,0|1,1,0]=4 4665 B12R1.196 CCC(C)(C)SCc1cscn1 62a_100000032637_100000205941 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.196 CCC(C)(C)SCc1cscn1 62a_100000205941_100000032637 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.196 CCC(C)(C)SCc1ncc[nH]1 62a_100000032637_100016991755 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.196 CCC(C)(C)SCc1ncc[nH]1 62a_100016991755_100000032637 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.196 CCC(C)(C)SCc1ncco1 62a_100000032637_103436540062 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.196 CCC(C)(C)SCc1ncco1 62a_103436540062_100000032637 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.196 CCC(C)(C)SCc1nccs1 62a_100000032637_100015184050 [0,2,0,0,0,0|1,1,0]=4 4672 B12R1.196 CCC(C)(C)SCc1nccs1 62a_100015184050_100000032637 [0,2,0,0,0,0|1,1,0]=4 4673 B12R1.196 COC(C)(C)CSc1ccco1 62a_100000701081_100009814098 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.196 COC(C)(C)CSc1ccco1 62a_100009814098_100000701081 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.196 OCC(F)(F)SCc1ncco1 62a_100011217949_103436540062 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.196 OCC(F)(F)SCc1ncco1 62a_103436540062_100011217949 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.297 C=C[C@@H](CO)NCc1ccco1 270004a_100016989147_100000186105 [0,2,0,0,0,0|1,0,1]=4 4678 B12R1.297 CCC(CC)CSc1ccco1 62a_100009814098_100011215472 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.297 CCC(CC)CSc1ccco1 62a_100011215472_100009814098 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.297 CCC(CC)NCc1ccco1 207a_100000199018_100000186105 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.297 CCC(CC)NCc1ccco1 270004a_100000185738_100000210860 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.297 CCC(CC)NCc1ccco1 270004a_100000199018_100000186105 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.297 CCC(CC)NCc1cccs1 207a_100000199018_100000209959 [0,2,0,0,0,0|1,1,0]=4 4684 B12R1.297 CCC(CC)NCc1cccs1 270004a_100000199018_100000209959 [0,2,0,0,0,0|1,1,0]=4 4685 B12R1.297 CCC(CC)NCc1cccs1 270004a_100000211653_100000210860 [0,2,0,0,0,0|1,1,0]=4 4686 B12R1.297 CCC(CC)NCc1cnco1 270004a_100000199018_100000064291 [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.297 CCC(CC)NCc1cnco1 270004a_100020634212_100000210860 [0,2,0,0,0,0|2,0,0]=4 4688 B12R1.297 CCC(CC)NCc1ncco1 2230a_100000199018_103436540062 [0,2,0,0,0,0|2,0,0]=4 4689 B12R1.297 CCC(CC)NCc1ncco1 270004a_100000199018_100000064290 [0,2,0,0,0,0|2,0,0]=4 4690 B12R1.297 CCC(CC)OCc1ncco1 7a_100000688536_103436540062 [0,2,0,0,0,0|1,1,0]=4 4691 B12R1.297 CCC(CC)SCc1c[nH]cn1 62a_100000210505_100000707719 [0,2,0,0,0,0|2,0,0]=4 4692 B12R1.297 CCC(CC)SCc1c[nH]cn1 62a_100000707719_100000210505 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.297 CCC(CC)SCc1ccn[nH]1 62a_100000210505_100000728653 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.297 CCC(CC)SCc1ccn[nH]1 62a_100000728653_100000210505 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.297 CCC(CC)SCc1ccon1 62a_100000210505_100000234950 [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.297 CCC(CC)SCc1ccon1 62a_100000234950_100000210505 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.297 CCC(CC)SCc1ccsc1 62a_100000210505_100011233845 [0,2,0,0,0,0|2,0,0]=4 4698 B12R1.297 CCC(CC)SCc1ccsc1 62a_100011261437_100000210505 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.297 CCC(CC)SCc1cncs1 62a_100000210505_100015185245 [0,2,0,0,0,0|1,1,0]=4 4700 B12R1.297 CCC(CC)SCc1cncs1 62a_100015185245_100000210505 [0,2,0,0,0,0|1,1,0]=4 4701 B12R1.297 CCC(CC)SCc1cscn1 62a_100000205941_100000210505 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.297 CCC(CC)SCc1cscn1 62a_100000210505_100000205941 [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.297 CCC(CC)SCc1ncc[nH]1 62a_100000210505_100016991755 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.297 CCC(CC)SCc1ncc[nH]1 62a_100016991755_100000210505 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.297 CCC(CC)SCc1ncco1 62a_100000210505_103436540062 [0,2,0,0,0,0|1,0,0]=3 4706 B12R1.297 CCC(CC)SCc1ncco1 62a_103436540062_100000210505 [0,2,0,0,0,0|1,0,0]=3 4707 B12R1.297 CCC(CC)SCc1nccs1 62a_100000210505_100015184050 [0,2,0,0,0,0|1,1,0]=4 4708 B12R1.297 CCC(CC)SCc1nccs1 62a_100015184050_100000210505 [0,2,0,0,0,0|1,1,0]=4 4709 B12R1.297 CC[C@@H](CO)NCc1ccco1 207a_100000709445_100000186105 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.297 CC[C@@H](CO)NCc1ccco1 270004a_100000709445_100000186105 [0,2,0,0,0,0|1,0,0]=3 4711 B12R1.297 CC[C@@H](CO)NCc1cccs1 207a_100000709445_100000209959 [0,2,0,0,0,0|1,1,0]=4 4712 B12R1.297 CC[C@@H](CO)NCc1cccs1 270004a_100000709445_100000209959 [0,2,0,0,0,0|1,1,0]=4 4713 B12R1.297 CC[C@@H](CO)NCc1cnco1 270004a_100000709445_100000064291 [0,2,0,0,0,0|2,0,0]=4 4714 B12R1.297 CC[C@@H](CO)NCc1ncco1 2230a_100000709445_103436540062 [0,2,0,0,0,0|2,0,0]=4 4715 B12R1.297 CC[C@@H](CO)NCc1ncco1 270004a_100000709445_100000064290 [0,2,0,0,0,0|2,0,0]=4 4716 B12R1.297 COC(CSc1ccco1)OC 62a_100000751394_100009814098 [0,2,0,0,0,0|2,0,0]=4 4717 B12R1.297 COC(CSc1ccco1)OC 62a_100009814098_100000751394 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.297 ClCC(CCl)OCc1ncco1 7a_100000737055_103436540062 [0,2,0,0,0,0|1,1,0]=4 4719 B12R1.297 FCC(CF)OCc1ncco1 34a_100000032261_103436540062 [0,2,0,0,0,0|1,1,0]=4 4720 B12R1.297 FCC(CF)OCc1ncco1 7a_100000032261_103436540062 [0,2,0,0,0,0|1,1,0]=4 4721 B12R1.297 FC[C@@H](CCl)OCc1ncco1 34a_100015614560_103436540062 [0,2,0,0,0,0|1,1,0]=4 4722 B12R1.297 FC[C@@H](CCl)OCc1ncco1 7a_100015614560_103436540062 [0,2,0,0,0,0|1,1,0]=4 4723 B12R1.297 NCC(CN)OCc1ncco1 34a_100000031598_103436540062 [0,2,0,0,0,0|1,1,0]=4 4724 B12R1.297 OCC(CO)NCc1ccco1 207a_100000759517_100000186105 [0,2,0,0,0,0|1,0,0]=3 4725 B12R1.297 OCC(CO)NCc1cccs1 207a_100000759517_100000209959 [0,2,0,0,0,0|1,1,0]=4 4726 B12R1.297 OCC(CO)NCc1ncco1 2230a_100000759517_103436540062 [0,2,0,0,0,0|2,0,0]=4 4727 B12R1.353 C#CC(C)NCc1occc1Br 270004a_100000707721_100000756499 [0,2,0,0,0,0|1,0,1]=4 4728 B12R1.353 C#CC(C)NCc1occc1C 270004a_100000707721_100000763527 [0,2,0,0,0,0|1,0,1]=4 4729 B12R1.353 C#CC(C)OCc1occc1C 34a_100011273948_200000035995 [0,2,0,0,0,0|0,1,1]=4 4730 B12R1.353 CC(CO)NCc1cccn1C 34a_100011219357_100012180447 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.353 CC(CO)NCc1sccc1Cl 2230a_100011934584_100012180447 [0,2,0,0,0,0|1,1,0]=4 4732 B12R1.353 CC(CO)NCc1sccc1Cl 34a_100011934584_100012180447 [0,2,0,0,0,0|1,1,0]=4 4733 B12R1.353 CC(CO)OCc1sccc1Br 34a_100000702026_100012180447 [0,2,0,0,0,0|0,2,0]=4 4734 B12R1.353 CC(CO)OCc1sccc1Cl 34a_100000722387_100012180447 [0,2,0,0,0,0|0,2,0]=4 4735 B12R1.353 CC(CO)OCc1sccc1Cl 7a_100000722387_100012180447 [0,2,0,0,0,0|0,2,0]=4 4736 B12R1.353 CC(CO)SCc1ccnn1C 62a_100012180447_100000691648 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.353 CC(CO)SCc1ccsc1Br 62a_100012180447_100009814289 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.353 CC(CO)SCc1ccsc1Cl 62a_100012180447_100010167017 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.353 CC(CO)SCc1nccn1C 62a_100012180447_100000700302 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.353 CCC(C)NCc1cccn1C 270004a_100000209981_100000211633 [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.353 CCC(C)NCc1cccn1C 34a_100011219357_100011215416 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.353 CCC(C)NCc1occc1Br 270004a_100000209981_100000756499 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.353 CCC(C)NCc1occc1C 207a_100000209981_100000763527 [0,2,0,0,0,0|1,0,0]=3 4744 B12R1.353 CCC(C)NCc1occc1C 270004a_100000209981_100000763527 [0,2,0,0,0,0|1,0,0]=3 4745 B12R1.353 CCC(C)NCc1sccc1Br 207a_100000209981_100000766043 [0,2,0,0,0,0|1,1,0]=4 4746 B12R1.353 CCC(C)NCc1sccc1Br 270004a_100000209981_100000766043 [0,2,0,0,0,0|1,1,0]=4 4747 B12R1.353 CCC(C)NCc1sccc1C 207a_100000209981_100000210881 [0,2,0,0,0,0|1,1,0]=4 4748 B12R1.353 CCC(C)NCc1sccc1C 2230a_100000238519_100000758301 [0,2,0,0,0,0|1,1,0]=4 4749 B12R1.353 CCC(C)NCc1sccc1C 270004a_100000209981_100000210881 [0,2,0,0,0,0|1,1,0]=4 4750 B12R1.353 CCC(C)NCc1sccc1C 34a_100000238519_100011215416 [0,2,0,0,0,0|1,1,0]=4 4751 B12R1.353 CCC(C)NCc1sccc1Cl 207a_100000209981_100000722334 [0,2,0,0,0,0|1,1,0]=4 4752 B12R1.353 CCC(C)NCc1sccc1Cl 2230a_100011934584_100000758301 [0,2,0,0,0,0|1,1,0]=4 4753 B12R1.353 CCC(C)NCc1sccc1Cl 270004a_100000209981_100000722334 [0,2,0,0,0,0|1,1,0]=4 4754 B12R1.353 CCC(C)NCc1sccc1Cl 34a_100011934584_100011215416 [0,2,0,0,0,0|1,1,0]=4 4755 B12R1.353 CCC(C)OCc1occc1C 34a_100011273948_100011215416 [0,2,0,0,0,0|0,1,0]=3 4756 B12R1.353 CCC(C)OCc1occc1C 7a_100011273948_100000758301 [0,2,0,0,0,0|0,1,0]=3 4757 B12R1.353 CCC(C)OCc1ocnc1C 34a_100000717716_100011215416 [0,2,0,0,0,0|1,1,0]=4 4758 B12R1.353 CCC(C)OCc1ocnc1C 7a_100000717716_100000758301 [0,2,0,0,0,0|1,1,0]=4 4759 B12R1.353 CCC(C)OCc1oncc1C 34a_200011065769_100011215416 [0,2,0,0,0,0|1,1,0]=4 4760 B12R1.353 CCC(C)OCc1sccc1Br 34a_100000702026_100011215416 [0,2,0,0,0,0|0,2,0]=4 4761 B12R1.353 CCC(C)OCc1sccc1C 34a_100000238368_100011215416 [0,2,0,0,0,0|0,2,0]=4 4762 B12R1.353 CCC(C)OCc1sccc1C 7a_100000238368_100000758301 [0,2,0,0,0,0|0,2,0]=4 4763 B12R1.353 CCC(C)OCc1sccc1Cl 34a_100000722387_100011215416 [0,2,0,0,0,0|0,2,0]=4 4764 B12R1.353 CCC(C)OCc1sccc1Cl 7a_100000722387_100000758301 [0,2,0,0,0,0|0,2,0]=4 4765 B12R1.353 CCC(C)SCc1ccnn1C 62a_100000691648_100000758301 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.353 CCC(C)SCc1ccnn1C 62a_100000758301_100000691648 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.353 CCC(C)SCc1ccsc1Br 62a_100000758301_100009814289 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.353 CCC(C)SCc1ccsc1Br 62a_100009814289_100000758301 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.353 CCC(C)SCc1ccsc1Cl 62a_100000758301_100010167017 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.353 CCC(C)SCc1ccsc1Cl 62a_100010167017_100000758301 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.353 CCC(C)SCc1nc[nH]c1C 62a_100000751220_100000758301 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.353 CCC(C)SCc1nc[nH]c1C 62a_100000758301_100000751220 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.353 CCC(C)SCc1nccn1C 62a_100000700302_100000758301 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.353 CCC(C)SCc1nccn1C 62a_100000758301_100000700302 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.353 CCC(C)SCc1ncoc1C 62a_100000758301_200000693990 [0,2,0,0,0,0|2,0,0]=4 4776 B12R1.353 CCC(C)SCc1ncoc1C 62a_200000693990_100000758301 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.353 COC(C)SCc1ccnn1C 62a_100000691648_100009879195 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.353 COC(C)SCc1ccnn1C 62a_100009879195_100000691648 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.353 COC(C)SCc1ccsc1Br 62a_100009814289_100009879195 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.353 COC(C)SCc1ccsc1Br 62a_100009879195_100009814289 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.353 COC(C)SCc1ccsc1Cl 62a_100009879195_100010167017 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.353 COC(C)SCc1ccsc1Cl 62a_100010167017_100009879195 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.353 COC(C)SCc1nc[nH]c1C 62a_100000751220_100009879195 [0,2,0,0,0,0|2,0,0]=4 4784 B12R1.353 COC(C)SCc1nc[nH]c1C 62a_100009879195_100000751220 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.353 COC(C)SCc1nccn1C 62a_100000700302_100009879195 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.353 COC(C)SCc1nccn1C 62a_100009879195_100000700302 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.353 COC(C)SCc1ncoc1C 62a_100009879195_200000693990 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.353 COC(C)SCc1ncoc1C 62a_200000693990_100009879195 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.353 C[C@H](CF)NCc1cccn1C 270004a_100102880703_100000211633 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.353 C[C@H](CF)NCc1occc1Br 270004a_100102880703_100000756499 [0,2,0,0,0,0|1,0,0]=3 4791 B12R1.353 C[C@H](CF)NCc1sccc1Br 207a_100102880703_100000766043 [0,2,0,0,0,0|1,1,0]=4 4792 B12R1.353 C[C@H](CF)NCc1sccc1Br 270004a_100102880703_100000766043 [0,2,0,0,0,0|1,1,0]=4 4793 B12R1.353 C[C@H](CF)NCc1sccc1Cl 207a_100102880703_100000722334 [0,2,0,0,0,0|1,1,0]=4 4794 B12R1.353 C[C@H](CF)NCc1sccc1Cl 270004a_100102880703_100000722334 [0,2,0,0,0,0|1,1,0]=4 4795 B12R1.353 C[C@H](CO)NCc1cccn1C 270004a_100000737577_100000211633 [0,2,0,0,0,0|2,0,0]=4 4796 B12R1.353 C[C@H](CO)NCc1occc1Br 270004a_100000737577_100000756499 [0,2,0,0,0,0|1,0,0]=3 4797 B12R1.353 C[C@H](CO)NCc1sccc1Br 207a_100000737577_100000766043 [0,2,0,0,0,0|1,1,0]=4 4798 B12R1.353 C[C@H](CO)NCc1sccc1Br 270004a_100000737577_100000766043 [0,2,0,0,0,0|1,1,0]=4 4799 B12R1.353 C[C@H](CO)NCc1sccc1Cl 207a_100000737577_100000722334 [0,2,0,0,0,0|1,1,0]=4 4800 B12R1.353 C[C@H](CO)NCc1sccc1Cl 270004a_100000737577_100000722334 [0,2,0,0,0,0|1,1,0]=4 4801 B12R1.353 C[C@H](CO)SCc1ccnn1C 62a_100000691648_100016084084 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.353 C[C@H](CO)SCc1ccnn1C 62a_100016084084_100000691648 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.353 C[C@H](CO)SCc1ccsc1Br 62a_100009814289_100016084084 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.353 C[C@H](CO)SCc1ccsc1Br 62a_100016084084_100009814289 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.353 C[C@H](CO)SCc1ccsc1Cl 62a_100010167017_100016084084 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.353 C[C@H](CO)SCc1ccsc1Cl 62a_100016084084_100010167017 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.353 C[C@H](CO)SCc1nccn1C 62a_100000700302_100016084084 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.353 C[C@H](CO)SCc1nccn1C 62a_100016084084_100000700302 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.353 Cc1[nH]cnc1CSC(C)CO 62a_100012180447_100000751220 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.353 Cc1[nH]cnc1CS[C@H](C)CO 62a_100000751220_100016084084 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.353 Cc1[nH]cnc1CS[C@H](C)CO 62a_100016084084_100000751220 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.353 Cc1ccoc1CN[C@H](C)CF 207a_100102880703_100000763527 [0,2,0,0,0,0|1,0,0]=3 4813 B12R1.353 Cc1ccoc1CN[C@H](C)CF 270004a_100102880703_100000763527 [0,2,0,0,0,0|1,0,0]=3 4814 B12R1.353 Cc1ccoc1CN[C@H](C)CO 207a_100000737577_100000763527 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.353 Cc1ccoc1CN[C@H](C)CO 270004a_100000737577_100000763527 [0,2,0,0,0,0|1,0,0]=3 4816 B12R1.353 Cc1ccoc1COC(C)C#N 7a_100011273948_100000703298 [0,2,0,0,0,0|0,1,1]=4 4817 B12R1.353 Cc1ccoc1COC(C)CO 34a_100011273948_100012180447 [0,2,0,0,0,0|0,1,0]=3 4818 B12R1.353 Cc1ccoc1COC(C)CO 7a_100011273948_100012180447 [0,2,0,0,0,0|0,1,0]=3 4819 B12R1.353 Cc1ccsc1CNC(C)CO 2230a_100000238519_100012180447 [0,2,0,0,0,0|1,1,0]=4 4820 B12R1.353 Cc1ccsc1CNC(C)CO 34a_100000238519_100012180447 [0,2,0,0,0,0|1,1,0]=4 4821 B12R1.353 Cc1ccsc1CN[C@H](C)CF 207a_100102880703_100000210881 [0,2,0,0,0,0|1,1,0]=4 4822 B12R1.353 Cc1ccsc1CN[C@H](C)CF 270004a_100102880703_100000210881 [0,2,0,0,0,0|1,1,0]=4 4823 B12R1.353 Cc1ccsc1CN[C@H](C)CO 207a_100000737577_100000210881 [0,2,0,0,0,0|1,1,0]=4 4824 B12R1.353 Cc1ccsc1CN[C@H](C)CO 270004a_100000737577_100000210881 [0,2,0,0,0,0|1,1,0]=4 4825 B12R1.353 Cc1ccsc1COC(C)CO 34a_100000238368_100012180447 [0,2,0,0,0,0|0,2,0]=4 4826 B12R1.353 Cc1ccsc1COC(C)CO 7a_100000238368_100012180447 [0,2,0,0,0,0|0,2,0]=4 4827 B12R1.353 Cc1cnoc1COC(C)CO 34a_200011065769_100012180447 [0,2,0,0,0,0|1,1,0]=4 4828 B12R1.353 Cc1ncoc1COC(C)CO 34a_100000717716_100012180447 [0,2,0,0,0,0|1,1,0]=4 4829 B12R1.353 Cc1ncoc1COC(C)CO 7a_100000717716_100012180447 [0,2,0,0,0,0|1,1,0]=4 4830 B12R1.353 Cc1ocnc1CSC(C)CO 62a_100012180447_200000693990 [0,2,0,0,0,0|2,0,0]=4 4831 B12R1.353 Cc1ocnc1CS[C@H](C)CO 62a_100016084084_200000693990 [0,2,0,0,0,0|2,0,0]=4 4832 B12R1.353 Cc1ocnc1CS[C@H](C)CO 62a_200000693990_100016084084 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.104 CC(C)C(=O)Cc1cc(cs1)Br 1458a_100000210198_100000746031 [0,2,0,0,0,0|1,1,0]=4 4834 B12R1.104 CC(C)C(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210206 [0,2,0,0,0,0|1,1,0]=4 4835 B12R1.104 CC(C)C(=O)Cc1cc(no1)Br 1458a_100000210198_100000709089 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.104 CC(C)C(=O)Cc1ccc(s1)Br 1458a_100000210198_100000708592 [0,2,0,0,0,0|1,1,0]=4 4837 B12R1.104 CC(C)C(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210206 [0,2,0,0,0,0|1,1,0]=4 4838 B12R1.104 CC(C)C(=O)Cc1ccc(s1)Cl 1458a_100000210198_100000185097 [0,2,0,0,0,0|1,1,0]=4 4839 B12R1.104 CC(C)C(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210206 [0,2,0,0,0,0|1,1,0]=4 4840 B12R1.104 CC(C)N(C)Cc1cc(c[nH]1)Br 270004a_200000211004_100000720742 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.104 CC(C)N(C)Cc1cc(co1)Br 270004a_200000211004_100000747035 [0,2,0,0,0,0|1,0,0]=3 4842 B12R1.104 CC(C)N(C)Cc1cc(cs1)Br 2230a_100000207611_100000210206 [0,2,0,0,0,0|1,1,0]=4 4843 B12R1.104 CC(C)N(C)Cc1cc(cs1)Br 269982a_100000207611_100000210206 [0,2,0,0,0,0|1,1,0]=4 4844 B12R1.104 CC(C)N(C)Cc1cc(cs1)Br 269982a_200000211004_100000746031 [0,2,0,0,0,0|1,1,0]=4 4845 B12R1.104 CC(C)N(C)Cc1cc(cs1)Br 270004a_200000211004_100000211722 [0,2,0,0,0,0|1,1,0]=4 4846 B12R1.104 CC(C)N(C)Cc1cc(cs1)Cl 270004a_200000211004_100000102487 [0,2,0,0,0,0|1,1,0]=4 4847 B12R1.104 CC(C)N(C)Cc1cc(no1)Br 269982a_200000211004_100000709089 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.104 CC(C)N(C)Cc1cc(no1)Br 270004a_200000211004_100009819588 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.104 CC(C)N(C)Cc1ccc(o1)Br 2230a_100000207588_100000210206 [0,2,0,0,0,0|1,0,0]=3 4850 B12R1.104 CC(C)N(C)Cc1ccc(o1)Br 269982a_100000207588_100000210206 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.104 CC(C)N(C)Cc1ccc(o1)Br 270004a_200000211004_100000185145 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.104 CC(C)N(C)Cc1ccc(o1)Cl 270004a_200000211004_100000188459 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.104 CC(C)N(C)Cc1ccc(s1)Br 269982a_200000211004_100000708592 [0,2,0,0,0,0|1,1,0]=4 4854 B12R1.104 CC(C)N(C)Cc1ccc(s1)Br 270004a_200000211004_100000179771 [0,2,0,0,0,0|1,1,0]=4 4855 B12R1.104 CC(C)N(C)Cc1ccc(s1)Cl 269982a_200000211004_100000185097 [0,2,0,0,0,0|1,1,0]=4 4856 B12R1.104 CC(C)N(C)Cc1ccc(s1)Cl 270004a_200000211004_100000242774 [0,2,0,0,0,0|1,1,0]=4 4857 B12R1.104 Cc1cc(on1)CC(=O)C(C)C 1458a_100000037866_100000210206 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.104 Cc1cc(on1)CC(=O)C(C)C 1458a_100000210198_100000707947 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.104 Cc1cc(on1)CN(C)C(C)C 269982a_200000211004_100000707947 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.104 Cc1cc(on1)CN(C)C(C)C 270004a_200000211004_100011794430 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.104 Cc1ccc(o1)CN(C)C(C)C 2230a_100000184526_100000210206 [0,2,0,0,0,0|1,0,0]=3 4862 B12R1.104 Cc1ccc(o1)CN(C)C(C)C 269982a_100000184526_100000210206 [0,2,0,0,0,0|1,0,0]=3 4863 B12R1.104 Cc1ccc(o1)CN(C)C(C)C 270004a_200000211004_100000183696 [0,2,0,0,0,0|1,0,0]=3 4864 B12R1.104 Cc1ccc(o1)CN(C)C(C)C 34a_100000184526_100000210206 [0,2,0,0,0,0|1,0,0]=3 4865 B12R1.104 Cc1ccc(s1)CN(C)C(C)C 2230a_100000200234_200000210301 [0,2,0,0,0,0|1,1,0]=4 4866 B12R1.104 Cc1ccc(s1)CN(C)C(C)C 2230a_100000751125_100000210206 [0,2,0,0,0,0|1,1,0]=4 4867 B12R1.104 Cc1ccc(s1)CN(C)C(C)C 269982a_100000200234_200000210301 [0,2,0,0,0,0|1,1,0]=4 4868 B12R1.104 Cc1ccc(s1)CN(C)C(C)C 269982a_100000751125_100000210206 [0,2,0,0,0,0|1,1,0]=4 4869 B12R1.104 Cc1ccc(s1)CN(C)C(C)C 270004a_200000211004_100000211121 [0,2,0,0,0,0|1,1,0]=4 4870 B12R1.104 Cc1ccc(s1)CN([13CH3])C(C)C 2230a_100000200234_200025704644 [0,2,0,0,0,0|1,1,0]=4 4871 B12R1.104 Cc1ccc(s1)CN([13CH3])C(C)C 269982a_100000200234_200025704644 [0,2,0,0,0,0|1,1,0]=4 4872 B12R1.104 Cc1csc(c1)CN(C)C(C)C 2230a_100011502060_100000210206 [0,2,0,0,0,0|1,1,0]=4 4873 B12R1.104 Cc1csc(c1)CN(C)C(C)C 269982a_100011502060_100000210206 [0,2,0,0,0,0|1,1,0]=4 4874 B12R1.104 Cc1csc(c1)CN(C)C(C)C 270004a_200000211004_100102525248 [0,2,0,0,0,0|1,1,0]=4 4875 B12R1.104 Cc1ncc(o1)CN(C)C(C)C 270004a_200000211004_100000084308 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.120 CC(C)N(C)C(C)c1ccco1 2230a_100000232712_100000210206 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.120 CC(C)N(C)C(C)c1ccco1 269982a_100000232712_100000210206 [0,2,0,0,0,0|1,0,0]=3 4878 B12R1.120 CC(C)N(C)C(C)c1cccs1 2230a_100000186410_100000210206 [0,2,0,0,0,0|1,1,0]=4 4879 B12R1.120 CC(C)N(C)C(C)c1cccs1 269982a_100000186410_100000210206 [0,2,0,0,0,0|1,1,0]=4 4880 B12R1.145 CC(C)N(C)Cc1cccn1C 2230a_100000188278_100000210206 [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.145 CC(C)N(C)Cc1cccn1C 2230a_100000219536_200000210301 [0,2,0,0,0,0|2,0,0]=4 4882 B12R1.145 CC(C)N(C)Cc1cccn1C 269982a_100000188278_100000210206 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.145 CC(C)N(C)Cc1cccn1C 269982a_100000219536_200000210301 [0,2,0,0,0,0|2,0,0]=4 4884 B12R1.145 CC(C)N(C)Cc1cccn1C 270004a_200000211004_100000211633 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.145 CC(C)N(C)Cc1occc1Br 270004a_200000211004_100000756499 [0,2,0,0,0,0|1,0,0]=3 4886 B12R1.145 CC(C)N(C)Cc1sccc1Br 2230a_100000767120_100000210206 [0,2,0,0,0,0|1,1,0]=4 4887 B12R1.145 CC(C)N(C)Cc1sccc1Br 269982a_100000767120_100000210206 [0,2,0,0,0,0|1,1,0]=4 4888 B12R1.145 CC(C)N(C)Cc1sccc1Br 270004a_200000211004_100000766043 [0,2,0,0,0,0|1,1,0]=4 4889 B12R1.145 CC(C)N(C)Cc1sccc1Cl 270004a_200000211004_100000722334 [0,2,0,0,0,0|1,1,0]=4 4890 B12R1.145 CC(C)N([13CH3])Cc1cccn1C 2230a_100000219536_200025704644 [0,2,0,0,0,0|2,0,0]=4 4891 B12R1.145 CC(C)N([13CH3])Cc1cccn1C 269982a_100000219536_200025704644 [0,2,0,0,0,0|2,0,0]=4 4892 B12R1.145 Cc1ccoc1CN(C)C(C)C 2230a_100000734364_100000210206 [0,2,0,0,0,0|1,0,0]=3 4893 B12R1.145 Cc1ccoc1CN(C)C(C)C 269982a_100000734364_100000210206 [0,2,0,0,0,0|1,0,0]=3 4894 B12R1.145 Cc1ccoc1CN(C)C(C)C 270004a_200000211004_100000763527 [0,2,0,0,0,0|1,0,0]=3 4895 B12R1.145 Cc1ccsc1CN(C)C(C)C 2230a_100000695154_100000210206 [0,2,0,0,0,0|1,1,0]=4 4896 B12R1.145 Cc1ccsc1CN(C)C(C)C 2230a_100160572448_200000210301 [0,2,0,0,0,0|1,1,0]=4 4897 B12R1.145 Cc1ccsc1CN(C)C(C)C 269982a_100000695154_100000210206 [0,2,0,0,0,0|1,1,0]=4 4898 B12R1.145 Cc1ccsc1CN(C)C(C)C 269982a_100160572448_200000210301 [0,2,0,0,0,0|1,1,0]=4 4899 B12R1.145 Cc1ccsc1CN(C)C(C)C 270004a_200000211004_100000210881 [0,2,0,0,0,0|1,1,0]=4 4900 B12R1.145 Cc1ccsc1CN(C)C(C)C 34a_100160572448_200000210301 [0,2,0,0,0,0|1,1,0]=4 4901 B12R1.145 Cc1ccsc1CN([13CH3])C(C)C 2230a_100160572448_200025704644 [0,2,0,0,0,0|1,1,0]=4 4902 B12R1.145 Cc1ccsc1CN([13CH3])C(C)C 269982a_100160572448_200025704644 [0,2,0,0,0,0|1,1,0]=4 4903 B12R1.145 Cc1ccsc1CN([13CH3])C(C)C 34a_100160572448_200025704644 [0,2,0,0,0,0|1,1,0]=4 4904 B12R1.266 CC(C)(C)C(=O)Cc1ncco1 1458a_106744555173_103436540062 [0,2,0,0,0,0|2,0,0]=4 4905 B12R1.266 CC(C)(C)N([13CH3])Cc1ccco1 2230a_200015186525_200025704644 [0,2,0,0,0,0|1,0,0]=3 4906 B12R1.266 CC(C)(C)N([13CH3])Cc1ccco1 269982a_200015186525_200025704644 [0,2,0,0,0,0|1,0,0]=3 4907 B12R1.266 CC(C)(C)N([13CH3])Cc1cccs1 2230a_200000187036_200025704644 [0,2,0,0,0,0|1,1,0]=4 4908 B12R1.266 CC(C)(C)N([13CH3])Cc1cccs1 269982a_200000187036_200025704644 [0,2,0,0,0,0|1,1,0]=4 4909 B12R1.266 CC(C)(F)C(=O)Cc1ncco1 1458a_100000765255_103436540062 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.266 CC(C)(O)C(=O)Cc1ncco1 1458a_100000242741_103436540062 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.266 CN(Cc1ccco1)C(C)(C)C 2230a_200015186525_200000210301 [0,2,0,0,0,0|1,0,0]=3 4912 B12R1.266 CN(Cc1ccco1)C(C)(C)C 269982a_100000185268_100000210625 [0,2,0,0,0,0|1,0,0]=3 4913 B12R1.266 CN(Cc1ccco1)C(C)(C)C 269982a_200015186525_200000210301 [0,2,0,0,0,0|1,0,0]=3 4914 B12R1.266 CN(Cc1ccco1)C(C)(C)C 270004a_100011215553_100000186105 [0,2,0,0,0,0|1,0,0]=3 4915 B12R1.266 CN(Cc1cccs1)C(C)(C)C 2230a_200000187036_200000210301 [0,2,0,0,0,0|1,1,0]=4 4916 B12R1.266 CN(Cc1cccs1)C(C)(C)C 269982a_100000184426_100000210625 [0,2,0,0,0,0|1,1,0]=4 4917 B12R1.266 CN(Cc1cccs1)C(C)(C)C 269982a_200000187036_200000210301 [0,2,0,0,0,0|1,1,0]=4 4918 B12R1.266 CN(Cc1cccs1)C(C)(C)C 270004a_100011215553_100000209959 [0,2,0,0,0,0|1,1,0]=4 4919 B12R1.266 CN(Cc1cnco1)C(C)(C)C 270004a_100011215553_100000064291 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.266 CN(Cc1ncco1)C(C)(C)C 269982a_100011215553_103436540062 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.266 CN(Cc1ncco1)C(C)(C)C 270004a_100011215553_100000064290 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.298 CC(C)N(CF)Cc1cccs1 269982a_100000200192_100015361967 [0,2,0,0,0,0|1,1,0]=4 4923 B12R1.298 CCC(Cc1ccco1)N(C)C 270004a_100102631434_200011996595 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.298 CCN(Cc1ccco1)C(C)C 2230a_100000739255_100000210206 [0,2,0,0,0,0|1,0,0]=3 4925 B12R1.298 CCN(Cc1ccco1)C(C)C 269982a_100000739255_100000210206 [0,2,0,0,0,0|1,0,0]=3 4926 B12R1.298 CCN(Cc1ccco1)C(C)C 270004a_100000223864_100000186105 [0,2,0,0,0,0|1,0,0]=3 4927 B12R1.298 CCN(Cc1cccs1)C(C)C 2230a_100000200192_100000210202 [0,2,0,0,0,0|1,1,0]=4 4928 B12R1.298 CCN(Cc1cccs1)C(C)C 2230a_100025770963_100000210206 [0,2,0,0,0,0|1,1,0]=4 4929 B12R1.298 CCN(Cc1cccs1)C(C)C 269982a_100000200192_100000204670 [0,2,0,0,0,0|1,1,0]=4 4930 B12R1.298 CCN(Cc1cccs1)C(C)C 269982a_100025770963_100000210206 [0,2,0,0,0,0|1,1,0]=4 4931 B12R1.298 CCN(Cc1cccs1)C(C)C 270004a_100000223864_100000209959 [0,2,0,0,0,0|1,1,0]=4 4932 B12R1.298 CCN(Cc1cnco1)C(C)C 270004a_100000223864_100000064291 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.298 CCN(Cc1ncco1)C(C)C 2230a_100000223864_103436540062 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.298 CCN(Cc1ncco1)C(C)C 269982a_100000223864_103436540062 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.298 CCN(Cc1ncco1)C(C)C 270004a_100000223864_100000064290 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.59 CC(C)C=Cc1ccc(o1)C#N 271570a_100016257149_100000764468 [0,2,0,0,0,0|1,0,1]=4 4937 B12R1.59 CC(C)C=Cc1ccc(o1)C=O 271570a_100016257149_100000185145 [0,2,0,0,0,0|1,0,1]=4 4938 B12R1.59 CC(C)C=Cc1ccc(o1)CN 271570a_100016257149_100000708654 [0,2,0,0,0,0|1,0,1]=4 4939 B12R1.59 CC(C)C=Cc1ccc(o1)CO 271570a_100016257149_100000246276 [0,2,0,0,0,0|1,0,1]=4 4940 B12R1.59 CC(C)CSc1ccc(o1)C#N 62a_100000210624_100000764468 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.59 CC(C)CSc1ccc(o1)C=O 62a_100000210624_100000186757 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.59 CC(C)CSc1ccc(o1)CN 62a_100000210624_100000708654 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.59 CC(C)CSc1ccc(o1)CO 62a_100000210624_100000246276 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.59 CC(C)CSc1ccc(o1)CO 62a_100000246276_100000210760 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.59 CC(C)NCc1ccc(o1)C#N 2230a_100138425928_100009822536 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.59 CC(C)NCc1ccc(o1)C#N 34a_100138425928_100009822536 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.59 CC(C)NCc1ccc(o1)C=O 2230a_100138425928_200000079136 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.59 CC(C)NCc1ccc(o1)C=O 34a_100138425928_200000079136 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.59 CC(C)NCc1ccc(o1)CO 207a_100138425928_100000758743 [0,2,0,0,0,0|1,0,0]=3 4950 B12R1.59 CC(C)NCc1ccc(s1)C#N 207a_100138425928_100000091605 [0,2,0,0,0,0|1,1,0]=4 4951 B12R1.59 CC(C)NCc1ccc(s1)C#N 2230a_100138425928_100010188212 [0,2,0,0,0,0|1,1,0]=4 4952 B12R1.59 CC(C)NCc1ccc(s1)C#N 34a_100138425928_100010188212 [0,2,0,0,0,0|1,1,0]=4 4953 B12R1.59 CC(C)OCc1ccc(o1)C#N 34a_100000212225_100009822536 [0,2,0,0,0,0|0,1,0]=3 4954 B12R1.59 CC(C)OCc1ccc(o1)C=O 34a_100000212225_200000079136 [0,2,0,0,0,0|0,1,0]=3 4955 B12R1.59 CC(C)OCc1ccc(s1)C#N 34a_100000212225_100010188212 [0,2,0,0,0,0|0,2,0]=4 4956 B12R1.59 CC(C)SCc1ccc(o1)C#N 62a_100000210206_100009822536 [0,2,0,0,0,0|0,0,0]=2 4957 B12R1.59 CC(C)SCc1ccc(o1)C=O 62a_100000210206_200000079136 [0,2,0,0,0,0|0,0,0]=2 4958 B12R1.59 CC(C)SCc1ccc(s1)C#N 62a_100000210206_100010188212 [0,2,0,0,0,0|0,1,0]=3 4959 B12R1.59 CC(C)SCc1csc(c1)C=O 62a_100000070824_100000210206 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.59 CC(C)SCc1csc(c1)C=O 62a_100000210206_100000070824 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.59 CC(C)SCc1nc(no1)CF 270196a_200000032654_100000241585 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.59 CCc1cc(on1)CNC(C)C 207a_100138425928_100000118199 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.59 CCc1cc(on1)CNC(C)C 2230a_100138425928_100012000519 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.59 CCc1cc(on1)CNC(C)C 34a_100138425928_100012000519 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.59 CCc1cc(on1)COC(C)C 34a_100000212225_100012000519 [0,2,0,0,0,0|1,1,0]=4 4966 B12R1.59 CCc1cc(on1)COC(C)C 34a_100012002152_100000210206 [0,2,0,0,0,0|1,1,0]=4 4967 B12R1.59 CCc1cc(on1)CSC(C)C 62a_100000210206_100012000519 [0,2,0,0,0,0|1,0,0]=3 4968 B12R1.59 CCc1cc(on1)CSC(C)C 62a_100012000519_100000210206 [0,2,0,0,0,0|1,0,0]=3 4969 B12R1.59 CCc1ccc(o1)CNC(C)C 207a_100138425928_100000743199 [0,2,0,0,0,0|1,0,0]=3 4970 B12R1.59 CCc1ccc(s1)CNC(C)C 207a_100138425928_100000746206 [0,2,0,0,0,0|1,1,0]=4 4971 B12R1.59 CCc1nc(cs1)CSC(C)C 62a_100000210206_100020603300 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.59 CCc1nc(cs1)CSC(C)C 62a_100020603300_100000210206 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.59 CCc1noc(n1)CSC(C)C 270196a_200000212204_100000241585 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.59 CCc1noc(n1)CSC(C)C 62a_100000210206_100000735704 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.59 CCc1noc(n1)CSC(C)C 62a_100000735704_100000210206 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.59 CCn1ccc(n1)CSC(C)C 62a_100000094151_100000210206 [0,2,0,0,0,0|2,0,0]=4 4977 B12R1.59 CCn1ccc(n1)CSC(C)C 62a_100000210206_100000094151 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.59 CSc1ccc(s1)CNC(C)C 207a_100138425928_100000720245 [0,2,0,0,0,0|1,1,0]=4 4979 B12R1.103 CC(C)C[C@H](N)c1ccc(s1)Br 271570a_100015190218_100010197418 [0,2,0,0,0,0|1,1,0]=4 4980 B12R1.103 CC(C)NC(=O)c1ccc(o1)O 271570a_203496583355_100000157565 [0,2,0,0,0,0|1,0,1]=4 4981 B12R1.103 CC(C)NC(C)c1cc(cs1)Br 2230a_100159270200_100000210206 [0,2,0,0,0,0|1,1,0]=4 4982 B12R1.103 CC(C)NC(C)c1cc(cs1)Br 34a_100159270200_100000210206 [0,2,0,0,0,0|1,1,0]=4 4983 B12R1.103 CC(C)NC(C)c1ccc(s1)Br 2230a_100102723530_100000210206 [0,2,0,0,0,0|1,1,0]=4 4984 B12R1.103 CC(C)NC(C)c1ccc(s1)Cl 2230a_100102723459_100000210206 [0,2,0,0,0,0|1,1,0]=4 4985 B12R1.103 Cc1ccc(s1)[C@@H](N)CC(C)C 271570a_100015190218_100000761539 [0,2,0,0,0,0|1,1,0]=4 4986 B12R1.103 Cc1csc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100009876951 [0,2,0,0,0,0|1,1,0]=4 4987 B12R1.110 CC(C)NCc1cc(c(o1)Br)Br 207a_100138425928_100000188521 [0,2,0,0,0,0|1,0,0]=3 4988 B12R1.110 CC(C)NCc1cc(c(s1)Br)Br 207a_100138425928_100000763650 [0,2,0,0,0,0|1,1,0]=4 4989 B12R1.110 Cc1cc(nn1C)CSC(C)C 62a_100000210206_100000761402 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.110 Cc1cc(nn1C)CSC(C)C 62a_100000761402_100000210206 [0,2,0,0,0,0|2,0,0]=4 4991 B12R1.110 Cc1cc(sc1Br)CNC(C)C 207a_100138425928_100000761930 [0,2,0,0,0,0|1,1,0]=4 4992 B12R1.110 Cc1cc(sc1C)CNC(C)C 207a_100138425928_100011830369 [0,2,0,0,0,0|1,1,0]=4 4993 B12R1.110 Cc1nc(sc1C)CSC(C)C 62a_100000210206_100012347604 [0,2,0,0,0,0|1,1,0]=4 4994 B12R1.110 Cc1nc(sc1C)CSC(C)C 62a_100000763442_100000210206 [0,2,0,0,0,0|1,1,0]=4 4995 B12R1.110 Cc1sc(cc1Br)CNC(C)C 207a_100138425928_100000708457 [0,2,0,0,0,0|1,1,0]=4 4996 B12R1.836 CC(C)(C)NCc1cc(cs1)Br 207a_100000715429_100000211722 [0,2,0,0,0,0|1,1,0]=4 4997 B12R1.836 CC(C)(C)NCc1cc(cs1)Br 2230a_100000715429_100000746031 [0,2,0,0,0,0|1,1,0]=4 4998 B12R1.836 CC(C)(C)NCc1cc(cs1)Br 34a_100000741024_100000210625 [0,2,0,0,0,0|1,1,0]=4 4999 B12R1.836 CC(C)(C)NCc1cc(cs1)Cl 207a_100000715429_100000102487 [0,2,0,0,0,0|1,1,0]=4 5000 B12R1.836 CC(C)(C)NCc1cc(cs1)I 207a_100000715429_100010179861 [0,2,0,0,0,0|1,1,0]=4 5001 B12R1.836 CC(C)(C)NCc1cc(no1)Br 34a_100015193020_100000210625 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.836 CC(C)(C)NCc1ccc(o1)Br 207a_100000715429_100000185145 [0,2,0,0,0,0|1,0,0]=3 5003 B12R1.836 CC(C)(C)NCc1ccc(o1)Br 34a_100000708654_100000210625 [0,2,0,0,0,0|1,0,0]=3 5004 B12R1.836 CC(C)(C)NCc1ccc(o1)Cl 207a_100000715429_100000188459 [0,2,0,0,0,0|1,0,0]=3 5005 B12R1.836 CC(C)(C)NCc1ccc(o1)I 207a_100000715429_100000186757 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.836 CC(C)(C)NCc1ccc(s1)Br 207a_100000715429_100000179771 [0,2,0,0,0,0|1,1,0]=4 5007 B12R1.836 CC(C)(C)NCc1ccc(s1)Br 2230a_100000715429_100000708592 [0,2,0,0,0,0|1,1,0]=4 5008 B12R1.836 CC(C)(C)NCc1ccc(s1)Cl 207a_100000715429_100000242774 [0,2,0,0,0,0|1,1,0]=4 5009 B12R1.836 CC(C)(C)NCc1ccc(s1)Cl 2230a_100000715429_100000185097 [0,2,0,0,0,0|1,1,0]=4 5010 B12R1.836 CC(C)(C)OCc1cc(cs1)Br 34a_100000238369_100000210625 [0,2,0,0,0,0|0,2,0]=4 5011 B12R1.836 CC(C)(C)OCc1cc(cs1)Br 34a_100015890283_100000746031 [0,2,0,0,0,0|0,2,0]=4 5012 B12R1.836 CC(C)(C)OCc1cc(cs1)Br 7a_100015890283_100000746031 [0,2,0,0,0,0|0,2,0]=4 5013 B12R1.836 CC(C)(C)OCc1cc(no1)Br 34a_100009816691_100000210625 [0,2,0,0,0,0|1,1,0]=4 5014 B12R1.836 CC(C)(C)OCc1cc(no1)Br 7a_100015890283_100000709089 [0,2,0,0,0,0|1,1,0]=4 5015 B12R1.836 CC(C)(C)OCc1ccc(o1)Br 34a_100000246276_100000210625 [0,2,0,0,0,0|0,1,0]=3 5016 B12R1.836 CC(C)(C)OCc1ccc(s1)Br 34a_100015890283_100000708592 [0,2,0,0,0,0|0,2,0]=4 5017 B12R1.836 CC(C)(C)OCc1ccc(s1)Br 7a_100015890283_100000708592 [0,2,0,0,0,0|0,2,0]=4 5018 B12R1.836 CC(C)(C)OCc1ccc(s1)Cl 34a_100015890283_100000185097 [0,2,0,0,0,0|0,2,0]=4 5019 B12R1.836 CC(C)(C)OCc1ccc(s1)Cl 7a_100015890283_100000185097 [0,2,0,0,0,0|0,2,0]=4 5020 B12R1.836 CC(C)(C)SCC1=CC(=O)OC1 62a_100000211941_100000716558 [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.836 CC(C)(C)SCC1=CC(=O)OC1 62a_100000716558_100000211941 [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.836 CC(C)(C)SCc1cc(cs1)Br 62a_100000211941_100000746031 [0,2,0,0,0,0|0,1,0]=3 5023 B12R1.836 CC(C)(C)SCc1cc(cs1)Br 62a_100000746031_100000211941 [0,2,0,0,0,0|0,1,0]=3 5024 B12R1.836 CC(C)(C)SCc1cc(no1)Br 62a_100000211941_100000709089 [0,2,0,0,0,0|1,0,0]=3 5025 B12R1.836 CC(C)(C)SCc1cc(no1)Br 62a_100000709089_100000211941 [0,2,0,0,0,0|1,0,0]=3 5026 B12R1.836 CC(C)(C)SCc1ccc(s1)Br 62a_100000211941_100000708592 [0,2,0,0,0,0|0,1,0]=3 5027 B12R1.836 CC(C)(C)SCc1ccc(s1)Br 62a_100000708592_100000211941 [0,2,0,0,0,0|0,1,0]=3 5028 B12R1.836 CC(C)(C)SCc1ccc(s1)Cl 62a_100000185097_100000211941 [0,2,0,0,0,0|0,1,0]=3 5029 B12R1.836 CC(C)(C)SCc1ccc(s1)Cl 62a_100000211941_100000185097 [0,2,0,0,0,0|0,1,0]=3 5030 B12R1.836 CC(C)(C)SCc1cnc(s1)Br 62a_100000211941_100000717027 [0,2,0,0,0,0|1,1,0]=4 5031 B12R1.836 CC(C)(C)SCc1cnc(s1)Br 62a_100000717027_100000211941 [0,2,0,0,0,0|1,1,0]=4 5032 B12R1.836 CC(C)(C)SCc1cnc(s1)Cl 62a_100000058068_100000211941 [0,2,0,0,0,0|1,1,0]=4 5033 B12R1.836 CC(C)(C)SCc1cnc(s1)Cl 62a_100000211941_100000058068 [0,2,0,0,0,0|1,1,0]=4 5034 B12R1.836 CC(C)(C)SCc1csc(n1)Cl 62a_100000024076_100000211941 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.836 CC(C)(C)SCc1csc(n1)Cl 62a_100000211941_100000024076 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.836 Cc1cc(no1)CSC(C)(C)C 62a_100000199038_100000211941 [0,2,0,0,0,0|2,0,0]=4 5037 B12R1.836 Cc1cc(no1)CSC(C)(C)C 62a_100000211941_100000199038 [0,2,0,0,0,0|2,0,0]=4 5038 B12R1.836 Cc1cc(on1)CNC(C)(C)C 207a_100000715429_100011794430 [0,2,0,0,0,0|2,0,0]=4 5039 B12R1.836 Cc1cc(on1)CNC(C)(C)C 2230a_100000715429_100000707947 [0,2,0,0,0,0|2,0,0]=4 5040 B12R1.836 Cc1cc(on1)CNC(C)(C)C 34a_100000745748_100000210625 [0,2,0,0,0,0|2,0,0]=4 5041 B12R1.836 Cc1cc(on1)COC(C)(C)C 34a_100000684692_100000210625 [0,2,0,0,0,0|1,1,0]=4 5042 B12R1.836 Cc1cc(on1)COC(C)(C)C 34a_100015890283_100000707947 [0,2,0,0,0,0|1,1,0]=4 5043 B12R1.836 Cc1cc(on1)COC(C)(C)C 7a_100015890283_100000707947 [0,2,0,0,0,0|1,1,0]=4 5044 B12R1.836 Cc1cc(on1)CSC(C)(C)C 62a_100000211941_100000707947 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.836 Cc1cc(on1)CSC(C)(C)C 62a_100000707947_100000211941 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.836 Cc1ccc(o1)CNC(C)(C)C 207a_100000715429_100000183696 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.836 Cc1ccc(o1)CNC(C)(C)C 34a_100011194323_100000210625 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.836 Cc1ccc(o1)COC(C)(C)C 34a_100011232665_100000210625 [0,2,0,0,0,0|0,1,0]=3 5049 B12R1.836 Cc1ccc(s1)CNC(C)(C)C 207a_100000715429_100000211121 [0,2,0,0,0,0|1,1,0]=4 5050 B12R1.836 Cc1ccc(s1)COC(C)(C)C 34a_100000238367_100000210625 [0,2,0,0,0,0|0,2,0]=4 5051 B12R1.836 Cc1cnc(o1)CNC(C)(C)C 34a_100138411809_100000210625 [0,2,0,0,0,0|2,0,0]=4 5052 B12R1.836 Cc1csc(c1)CNC(C)(C)C 207a_100000715429_100102525248 [0,2,0,0,0,0|1,1,0]=4 5053 B12R1.836 Cc1csc(c1)CNC(C)(C)C 34a_100015204214_100000210625 [0,2,0,0,0,0|1,1,0]=4 5054 B12R1.836 Cc1csc(c1)COC(C)(C)C 34a_200000068372_100000210625 [0,2,0,0,0,0|0,2,0]=4 5055 B12R1.836 Cc1nc(cs1)CSC(C)(C)C 62a_100000211941_100015186478 [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.836 Cc1nc(cs1)CSC(C)(C)C 62a_100015186478_100000211941 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.836 Cc1ncc(o1)CNC(C)(C)C 207a_100000715429_100000084308 [0,2,0,0,0,0|2,0,0]=4 5058 B12R1.836 Cc1ncc(s1)CSC(C)(C)C 62a_100000211941_100020635045 [0,2,0,0,0,0|1,1,0]=4 5059 B12R1.836 Cc1ncc(s1)CSC(C)(C)C 62a_100020635045_100000211941 [0,2,0,0,0,0|1,1,0]=4 5060 B12R1.836 Cc1nnc(o1)CSC(C)(C)C 62a_100000181450_100000211941 [0,2,0,0,0,0|2,0,0]=4 5061 B12R1.836 Cc1nnc(o1)CSC(C)(C)C 62a_100000211941_100000181450 [0,2,0,0,0,0|2,0,0]=4 5062 B12R1.836 Cc1noc(n1)CSC(C)(C)C 62a_100000211941_100000735555 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.836 Cc1noc(n1)CSC(C)(C)C 62a_100000735555_100000211941 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.836 Cn1ccc(n1)CSC(C)(C)C 62a_100000211941_100000726502 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.836 Cn1ccc(n1)CSC(C)(C)C 62a_100000726502_100000211941 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.836 Cn1cnc(c1)CSC(C)(C)C 62a_100000211941_100000717665 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.836 Cn1cnc(c1)CSC(C)(C)C 62a_100000717665_100000211941 [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.861 CC(C)NCc1sc(cc1Br)Cl 207a_100138425928_100021366026 [0,2,0,0,0,0|1,1,0]=4 5069 B12R1.861 CC(C)NCc1sc(cc1Cl)Br 207a_100138425928_100015463987 [0,2,0,0,0,0|1,1,0]=4 5070 B12R1.861 CC(C)SCc1nn(cc1Br)C 62a_100000210206_100009817083 [0,2,0,0,0,0|2,0,0]=4 5071 B12R1.861 CC(C)SCc1nn(cc1Br)C 62a_100009817083_100000210206 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.861 Cc1cc(c(s1)CNC(C)C)Br 207a_100138425928_100011361552 [0,2,0,0,0,0|1,1,0]=4 5073 B12R1.861 Cc1cc(n(n1)C)CSC(C)C 62a_100000210206_100025716357 [0,2,0,0,0,0|2,0,0]=4 5074 B12R1.861 Cc1cc(n(n1)C)CSC(C)C 62a_100025716357_100000210206 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.861 Cc1cc(sc1CNC(C)C)Br 207a_100138425928_100010221198 [0,2,0,0,0,0|1,1,0]=4 5076 B12R1.861 Cc1nc(c(o1)CNC(C)C)C 207a_100138425928_100000734261 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.861 Cc1nc(c(s1)CSC(C)C)Br 62a_100000210206_100015664652 [0,2,0,0,0,0|1,1,0]=4 5078 B12R1.861 Cc1nc(c(s1)CSC(C)C)Br 62a_100015664652_100000210206 [0,2,0,0,0,0|1,1,0]=4 5079 B12R1.861 Cc1nc(c(s1)CSC(C)C)C 62a_100000210206_100000760948 [0,2,0,0,0,0|1,1,0]=4 5080 B12R1.861 Cc1nc(c(s1)CSC(C)C)C 62a_100000760948_100000210206 [0,2,0,0,0,0|1,1,0]=4 5081 B12R1.861 Cc1oc(=O)oc1CSC(C)C 62a_100000210206_100000068490 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.870 CC(C)NCc1scc(c1Br)Br 207a_100138425928_100012354027 [0,2,0,0,0,0|1,1,0]=4 5083 B12R1.870 Cc1ccc(n1C)CNC(C)C 34a_100000744627_100000210206 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.144 CC(C)C[C@H](N)c1sccc1Br 271570a_100015190218_100012361411 [0,2,0,0,0,0|1,1,0]=4 5085 B12R1.144 Cc1ccsc1[C@@H](N)CC(C)C 271570a_100015190218_100000742657 [0,2,0,0,0,0|1,1,0]=4 5086 B12R1.259 CC(C)NC(C)(C)c1cccs1 2230a_100000757009_100000210206 [0,2,0,0,0,0|1,1,0]=4 5087 B12R1.259 CC(C)NS(=O)(=O)c1ccco1 270084a_100138425928_200000702926 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.259 CC(C)NS(=O)(=O)c1ccco1 274078a_100138425928_200000702926 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.259 CC(C)OC(C)(C)c1cccs1 7a_100011410533_100000210206 [0,2,0,0,0,0|0,2,0]=4 5090 B12R1.265 C[C@H](OC(C)(C)C)c1ccco1 34a_100000755270_100000210625 [0,2,0,0,0,0|0,1,0]=3 5091 B12R1.476 CC(C)NC(CO)c1cccs1 2230a_100102422791_100000210206 [0,2,0,0,0,0|1,1,0]=4 5092 B12R1.476 CC(C)OC(CN)c1ccco1 34a_100000738650_100000210206 [0,2,0,0,0,0|0,1,0]=3 5093 B12R1.476 CCC(NC(C)C)c1ccco1 2230a_100015202707_100000210206 [0,2,0,0,0,0|1,0,0]=3 5094 B12R1.476 CCC(NC(C)C)c1cccs1 2230a_100000743277_100000210206 [0,2,0,0,0,0|1,1,0]=4 5095 B12R1.81 CCn1cccc1CNC(C)C 2230a_103496549365_100000210206 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.81 CCn1cccc1CNC(C)C 34a_103496549365_100000210206 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.81 CCn1cncc1CSC(C)C 62a_100000210206_100015185705 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.81 CCn1cncc1CSC(C)C 62a_100015185705_100000210206 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.81 CCn1nccc1CSC(C)C 62a_100000210206_100025719316 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.81 CCn1nccc1CSC(C)C 62a_100025719316_100000210206 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.81 COc1ccoc1CNC(C)C 207a_100138425928_200009856553 [0,2,0,0,0,0|1,0,0]=3 5102 B12R1.81 COc1ccsc1CNC(C)C 207a_100138425928_100000689126 [0,2,0,0,0,0|1,1,0]=4 5103 B12R1.129 CC(C)(C)NCc1sccc1Br 207a_100000715429_100000766043 [0,2,0,0,0,0|1,1,0]=4 5104 B12R1.129 CC(C)(C)NCc1sccc1Cl 207a_100000715429_100000722334 [0,2,0,0,0,0|1,1,0]=4 5105 B12R1.129 CC(C)(C)NCc1sccc1Cl 34a_100011934584_100000210625 [0,2,0,0,0,0|1,1,0]=4 5106 B12R1.129 CC(C)(C)OCc1sccc1Br 34a_100000702026_100000210625 [0,2,0,0,0,0|0,2,0]=4 5107 B12R1.129 CC(C)(C)OCc1sccc1Cl 34a_100000722387_100000210625 [0,2,0,0,0,0|0,2,0]=4 5108 B12R1.129 CC(C)(C)SCc1ccsc1Br 62a_100000211941_100009814289 [0,2,0,0,0,0|2,0,0]=4 5109 B12R1.129 CC(C)(C)SCc1ccsc1Br 62a_100009814289_100000211941 [0,2,0,0,0,0|2,0,0]=4 5110 B12R1.129 CC(C)(C)SCc1ccsc1Cl 62a_100000211941_100010167017 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.129 CC(C)(C)SCc1ccsc1Cl 62a_100010167017_100000211941 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.129 Cc1[nH]cnc1CSC(C)(C)C 62a_100000211941_100000751220 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.129 Cc1[nH]cnc1CSC(C)(C)C 62a_100000751220_100000211941 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.129 Cc1ccoc1CNC(C)(C)C 207a_100000715429_100000763527 [0,2,0,0,0,0|1,0,0]=3 5115 B12R1.129 Cc1ccoc1COC(C)(C)C 34a_100011273948_100000210625 [0,2,0,0,0,0|0,1,0]=3 5116 B12R1.129 Cc1ccsc1CNC(C)(C)C 207a_100000715429_100000210881 [0,2,0,0,0,0|1,1,0]=4 5117 B12R1.129 Cc1ccsc1CNC(C)(C)C 34a_100000238519_100000210625 [0,2,0,0,0,0|1,1,0]=4 5118 B12R1.129 Cc1ccsc1COC(C)(C)C 34a_100000238368_100000210625 [0,2,0,0,0,0|0,2,0]=4 5119 B12R1.129 Cc1cnoc1COC(C)(C)C 34a_200011065769_100000210625 [0,2,0,0,0,0|1,1,0]=4 5120 B12R1.129 Cc1ncoc1COC(C)(C)C 34a_100000717716_100000210625 [0,2,0,0,0,0|1,1,0]=4 5121 B12R1.129 Cc1ocnc1CSC(C)(C)C 62a_100000211941_200000693990 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.129 Cc1ocnc1CSC(C)(C)C 62a_200000693990_100000211941 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.129 Cn1cccc1CNC(C)(C)C 34a_100011219357_100000210625 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.129 Cn1ccnc1CSC(C)(C)C 62a_100000211941_100000700302 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.129 Cn1ccnc1CSC(C)(C)C 62a_100000700302_100000211941 [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.129 Cn1nccc1CSC(C)(C)C 62a_100000211941_100000691648 [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.129 Cn1nccc1CSC(C)(C)C 62a_100000691648_100000211941 [0,2,0,0,0,0|2,0,0]=4 5128 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,1,1,0,0|1,0,1]=4 5129 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,1,1,0,0|1,0,1]=4 5130 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,1,1,0,0|1,0,1]=4 5131 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,1,1,0,0|1,0,1]=4 5132 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [0,0,1,1,0,0|1,0,1]=4 5133 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [0,0,1,1,0,0|1,0,1]=4 5134 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,1,1,0,0|1,0,1]=4 5135 B10R1.177 C/C=C/C=C/COC1CC1 34a_100016283227_100000211595 [0,0,1,1,0,0|1,1,0]=4 5136 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,0,1,1,0,0|1,0,1]=4 5137 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,0,1,1,0,0|2,0,0]=4 5138 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,0,1,1,0,0|2,0,0]=4 5139 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,0,1,1,0,0|1,0,0]=3 5140 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [1,0,0,1,0,0|2,0,0]=4 5141 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,0,0,1,0,1|1,0,0]=3 5142 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,1,0,1|2,0,0]=4 5143 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,1,0,1|2,0,0]=4 5144 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,1|1,1,0]=4 5145 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,1,0,1|1,0,0]=3 5146 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,1,0,1|2,0,0]=4 5147 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,1,0,1|1,0,0]=3 5148 B12R2.2057 c1cnc(cn1)CNC2CC2 34a_100000212008_100016995436 [0,0,0,1,0,1|2,0,0]=4 5149 B12R2.2057 c1cnc(cn1)CSC2CC2 62a_100016995436_100000211595 [0,0,0,1,0,1|1,0,0]=3 5150 B12R2.2057 c1cnc(nc1)CNC2CC2 34a_100000212008_100000703007 [0,0,0,1,0,1|2,0,0]=4 5151 B12R2.2057 c1cnc(nc1)CSC2CC2 62a_100000703007_100000211595 [0,0,0,1,0,1|1,0,0]=3 5152 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,0,1,0,1|2,0,0]=4 5153 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,0,1,0,1|1,0,0]=3 5154 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [0,0,0,1,0,1|2,0,0]=4 5155 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [0,0,0,1,0,1|1,0,0]=3 5156 B12R2.2057 c1ncc(cn1)CSC2CC2 62a_100015196519_100000211595 [0,0,0,1,0,1|2,0,0]=4 5157 B12R2.136 CC1CN(C1)Cc2ccco2 270004a_100000702820_100000186105 [0,0,0,1,0,1|1,0,0]=3 5158 B12R2.136 CC1CN(C1)Cc2cccs2 270004a_100000702820_100000209959 [0,0,0,1,0,1|1,1,0]=4 5159 B12R2.136 CC1CN(C1)Cc2cnco2 270004a_100000702820_100000064291 [0,0,0,1,0,1|2,0,0]=4 5160 B12R2.136 CC1CN(C1)Cc2ncco2 2230a_100000702820_103436540062 [0,0,0,1,0,1|2,0,0]=4 5161 B12R2.136 CC1CN(C1)Cc2ncco2 269982a_100000702820_103436540062 [0,0,0,1,0,1|2,0,0]=4 5162 B12R2.136 CC1CN(C1)Cc2ncco2 270004a_100000702820_100000064290 [0,0,0,1,0,1|2,0,0]=4 5163 B12R2.136 CC1CN(C1)Cc2ncco2 34a_100000702820_103436540062 [0,0,0,1,0,1|2,0,0]=4 5164 B12R2.136 FC1CN(C1)Cc2ccco2 270004a_100000690557_100000186105 [0,0,0,1,0,1|2,0,0]=4 5165 B12R2.2383 C(=NNC1CC1)c2ccco2 4a_100000701032_100000186105 [0,0,0,1,0,1|1,0,1]=4 5166 B12R2.2383 c1c[nH]c(n1)CSCC2CC2 62a_100000756562_100016991755 [0,0,0,1,0,1|2,0,0]=4 5167 B12R2.2383 c1c[nH]c(n1)CSCC2CC2 62a_100016991755_100000742324 [0,0,0,1,0,1|2,0,0]=4 5168 B12R2.2383 c1cc([nH]n1)CSCC2CC2 62a_100000728653_100000742324 [0,0,0,1,0,1|2,0,0]=4 5169 B12R2.2383 c1cc([nH]n1)CSCC2CC2 62a_100000756562_100000728653 [0,0,0,1,0,1|2,0,0]=4 5170 B12R2.2383 c1cc(cs1)CSCC2CC2 62a_100000756562_100011233845 [0,0,0,1,0,1|2,0,0]=4 5171 B12R2.2383 c1cc(cs1)CSCC2CC2 62a_100011261437_100000742324 [0,0,0,1,0,1|2,0,0]=4 5172 B12R2.2383 c1cc(no1)CSCC2CC2 62a_100000234950_100000742324 [0,0,0,1,0,1|2,0,0]=4 5173 B12R2.2383 c1cc(no1)CSCC2CC2 62a_100000756562_100000234950 [0,0,0,1,0,1|2,0,0]=4 5174 B12R2.2383 c1cc(on1)COCC2CC2 34a_100000740478_100000742324 [0,0,0,1,0,1|1,1,0]=4 5175 B12R2.2383 c1ccn(c1)CCSC2CC2 62a_200009811947_100000211595 [0,0,0,1,0,1|2,0,0]=4 5176 B12R2.2383 c1cnn(c1)CCSC2CC2 62a_100015204718_100000211595 [0,0,0,1,0,1|2,0,0]=4 5177 B12R2.2383 c1coc(c1)CCNC2CC2 34a_100000694680_100000211595 [0,0,0,1,0,1|1,0,0]=3 5178 B12R2.2383 c1coc(c1)CNCC2CC2 207a_100000735609_100000186105 [0,0,0,1,0,1|1,0,0]=3 5179 B12R2.2383 c1coc(c1)CNCC2CC2 2230a_100000185738_100000742324 [0,0,0,1,0,1|1,0,0]=3 5180 B12R2.2383 c1coc(c1)CNCC2CC2 270004a_100000735609_100000186105 [0,0,0,1,0,1|1,0,0]=3 5181 B12R2.2383 c1coc(c1)CNCC2CC2 34a_100000185738_100000742324 [0,0,0,1,0,1|1,0,0]=3 5182 B12R2.2383 c1coc(c1)CNCC2CO2 2230a_100000185738_100011216344 [0,0,0,1,0,1|2,0,0]=4 5183 B12R2.2383 c1coc(c1)CNCC2CO2 34a_100000185738_102125554688 [0,0,0,1,0,1|2,0,0]=4 5184 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [0,0,0,1,0,1|0,1,0]=3 5185 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [0,0,0,1,0,1|1,1,0]=4 5186 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [0,0,0,1,0,1|1,0,0]=3 5187 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [0,0,0,1,0,1|1,0,0]=3 5188 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100000732470_100009814098 [0,0,0,1,0,1|2,0,0]=4 5189 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100009814098_100000732470 [0,0,0,1,0,1|2,0,0]=4 5190 B12R2.2383 c1coc(n1)CNCC2CC2 2230a_100000735609_103436540062 [0,0,0,1,0,1|2,0,0]=4 5191 B12R2.2383 c1coc(n1)CNCC2CC2 2230a_100016994969_100000742324 [0,0,0,1,0,1|2,0,0]=4 5192 B12R2.2383 c1coc(n1)CNCC2CC2 270004a_100000735609_100000064290 [0,0,0,1,0,1|2,0,0]=4 5193 B12R2.2383 c1coc(n1)CNCC2CC2 34a_100000735609_103436540062 [0,0,0,1,0,1|2,0,0]=4 5194 B12R2.2383 c1coc(n1)COCC2CC2 34a_100000062594_100000742324 [0,0,0,1,0,1|1,1,0]=4 5195 B12R2.2383 c1coc(n1)COCC2CC2 34a_100000211283_103436540062 [0,0,0,1,0,1|1,1,0]=4 5196 B12R2.2383 c1coc(n1)CSCC2CC2 62a_100000756562_103436540062 [0,0,0,1,0,1|1,0,0]=3 5197 B12R2.2383 c1coc(n1)CSCC2CC2 62a_103436540062_100000742324 [0,0,0,1,0,1|1,0,0]=3 5198 B12R2.2383 c1coc(n1)CSCC2CO2 62a_102125554688_103436540062 [0,0,0,1,0,1|2,0,0]=4 5199 B12R2.2383 c1coc(n1)CSCC2CO2 62a_103436540062_102125554688 [0,0,0,1,0,1|2,0,0]=4 5200 B12R2.2383 c1coc(n1)CSCC2CS2 62a_100000031435_103436540062 [0,0,0,1,0,1|2,0,0]=4 5201 B12R2.2383 c1coc(n1)CSCC2CS2 62a_103436540062_100000031435 [0,0,0,1,0,1|2,0,0]=4 5202 B12R2.2383 c1coc(n1)CSC[C@@H]2CO2 62a_100000745022_103436540062 [0,0,0,1,0,1|2,0,0]=4 5203 B12R2.2383 c1coc(n1)CSC[C@@H]2CO2 62a_103436540062_100000745022 [0,0,0,1,0,1|2,0,0]=4 5204 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100000764125_100011787736 [0,0,0,1,0,1|2,0,0]=4 5205 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100011787736_100000764125 [0,0,0,1,0,1|2,0,0]=4 5206 B12R2.2383 c1csc(c1)CCNC2CC2 34a_100000203755_100000211595 [0,0,0,1,0,1|1,1,0]=4 5207 B12R2.2383 c1csc(c1)CCNC2CC2 34a_100000212008_100000748579 [0,0,0,1,0,1|1,1,0]=4 5208 B12R2.2383 c1csc(c1)CCOC2CC2 34a_100011216825_100000211595 [0,0,0,1,0,1|0,2,0]=4 5209 B12R2.2383 c1csc(c1)CCSC2CC2 62a_100000748579_100000211595 [0,0,0,1,0,1|0,1,0]=3 5210 B12R2.2383 c1csc(c1)CNCC2CC2 207a_100000735609_100000209959 [0,0,0,1,0,1|1,1,0]=4 5211 B12R2.2383 c1csc(c1)CNCC2CC2 2230a_100000211653_100000742324 [0,0,0,1,0,1|1,1,0]=4 5212 B12R2.2383 c1csc(c1)CNCC2CC2 269862a_100000211653_100000741477 [0,0,0,1,0,1|1,1,0]=4 5213 B12R2.2383 c1csc(c1)CNCC2CC2 270004a_100000735609_100000209959 [0,0,0,1,0,1|1,1,0]=4 5214 B12R2.2383 c1csc(c1)COCC2CC2 34a_100000211240_100000742324 [0,0,0,1,0,1|0,2,0]=4 5215 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100000764125_100011215356 [0,0,0,1,0,1|1,1,0]=4 5216 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100011215356_100000764125 [0,0,0,1,0,1|1,1,0]=4 5217 B12R2.2383 c1csc(n1)CSCC2CC2 62a_100000756562_100015184050 [0,0,0,1,0,1|1,1,0]=4 5218 B12R2.2383 c1csc(n1)CSCC2CC2 62a_100015184050_100000742324 [0,0,0,1,0,1|1,1,0]=4 5219 B12R2.2383 c1nc(c[nH]1)CCSC2CC2 62a_100020628418_100000211595 [0,0,0,1,0,1|2,0,0]=4 5220 B12R2.2383 c1nc(c[nH]1)CSCC2CC2 62a_100000707719_100000742324 [0,0,0,1,0,1|2,0,0]=4 5221 B12R2.2383 c1nc(c[nH]1)CSCC2CC2 62a_100000756562_100000707719 [0,0,0,1,0,1|2,0,0]=4 5222 B12R2.2383 c1nc(cs1)CSCC2CC2 62a_100000205941_100000742324 [0,0,0,1,0,1|2,0,0]=4 5223 B12R2.2383 c1nc(cs1)CSCC2CC2 62a_100000756562_100000205941 [0,0,0,1,0,1|2,0,0]=4 5224 B12R2.2383 c1ncc(o1)CNCC2CC2 269862a_100020634212_100000741477 [0,0,0,1,0,1|2,0,0]=4 5225 B12R2.2383 c1ncc(o1)CNCC2CC2 270004a_100000735609_100000064291 [0,0,0,1,0,1|2,0,0]=4 5226 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100000764125_100020591547 [0,0,0,1,0,1|2,0,0]=4 5227 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100020591547_100000764125 [0,0,0,1,0,1|2,0,0]=4 5228 B12R2.2383 c1ncc(s1)CSCC2CC2 62a_100000756562_100015185245 [0,0,0,1,0,1|1,1,0]=4 5229 B12R2.2383 c1ncc(s1)CSCC2CC2 62a_100015185245_100000742324 [0,0,0,1,0,1|1,1,0]=4 5230 B12R2.12 CC1CCN1Cc2ncco2 269982a_100000755817_103436540062 [0,1,0,1,0,0|2,0,0]=4 5231 B12R2.12 CC1CCN1Cc2ncco2 34a_100000755817_103436540062 [0,1,0,1,0,0|2,0,0]=4 5232 B12R2.2056 c1c[nH]c(n1)CSC2CCC2 62a_100016991755_100000749161 [0,1,0,1,0,0|2,0,0]=4 5233 B12R2.2056 c1c[nH]c(n1)CSC2COC2 62a_100016991755_100009818527 [0,1,0,1,0,0|2,0,0]=4 5234 B12R2.2056 c1cc([nH]n1)CSC2CCC2 62a_100000728653_100000749161 [0,1,0,1,0,0|2,0,0]=4 5235 B12R2.2056 c1cc([nH]n1)CSC2COC2 62a_100000728653_100009818527 [0,1,0,1,0,0|2,0,0]=4 5236 B12R2.2056 c1cc(cs1)CSC2CCC2 62a_100011261437_100000749161 [0,1,0,1,0,0|2,0,0]=4 5237 B12R2.2056 c1cc(cs1)CSC2COC2 62a_100011261437_100009818527 [0,1,0,1,0,0|2,0,0]=4 5238 B12R2.2056 c1cc(no1)CSC2CCC2 62a_100000234950_100000749161 [0,1,0,1,0,0|2,0,0]=4 5239 B12R2.2056 c1cc(no1)CSC2COC2 62a_100000234950_100009818527 [0,1,0,1,0,0|2,0,0]=4 5240 B12R2.2056 c1cc(on1)COC2CCC2 34a_100000740478_100000749161 [0,1,0,1,0,0|1,1,0]=4 5241 B12R2.2056 c1cc(on1)COC2COC2 34a_100000740478_100009818527 [0,1,0,1,0,0|1,1,0]=4 5242 B12R2.2056 c1coc(c1)CNC2CCC2 270004a_100000185738_100000241760 [0,1,0,1,0,0|1,0,0]=3 5243 B12R2.2056 c1coc(c1)CNC2CCC2 34a_100000185738_100000749161 [0,1,0,1,0,0|1,0,0]=3 5244 B12R2.2056 c1coc(c1)CNC2COC2 207a_100016991112_100000186105 [0,1,0,1,0,0|1,0,0]=3 5245 B12R2.2056 c1coc(c1)CNC2COC2 270004a_100016991112_100000186105 [0,1,0,1,0,0|1,0,0]=3 5246 B12R2.2056 c1coc(c1)CNC2COC2 34a_100000185738_100009818527 [0,1,0,1,0,0|1,0,0]=3 5247 B12R2.2056 c1coc(c1)CNC2CSC2 207a_100016994217_100000186105 [0,1,0,1,0,0|1,0,0]=3 5248 B12R2.2056 c1coc(c1)CNC2CSC2 270004a_100016994217_100000186105 [0,1,0,1,0,0|1,0,0]=3 5249 B12R2.2056 c1coc(c1)COC2CCC2 34a_100000210059_100000749161 [0,1,0,1,0,0|0,1,0]=3 5250 B12R2.2056 c1coc(c1)COC2COC2 34a_100000210059_100009818527 [0,1,0,1,0,0|0,1,0]=3 5251 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100000763275_100009814098 [0,1,0,1,0,0|2,0,0]=4 5252 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100009814098_100000763275 [0,1,0,1,0,0|2,0,0]=4 5253 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100000103362_100009814098 [0,1,0,1,0,0|2,0,0]=4 5254 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100009814098_100000103362 [0,1,0,1,0,0|2,0,0]=4 5255 B12R2.2056 c1coc(c1)SCC2COC2 62a_100009814098_100010264016 [0,1,0,1,0,0|2,0,0]=4 5256 B12R2.2056 c1coc(c1)SCC2COC2 62a_100010264016_100009814098 [0,1,0,1,0,0|2,0,0]=4 5257 B12R2.2056 c1coc(n1)CNC2CCC2 2230a_100000749019_103436540062 [0,1,0,1,0,0|2,0,0]=4 5258 B12R2.2056 c1coc(n1)CNC2CCC2 34a_100000749019_103436540062 [0,1,0,1,0,0|2,0,0]=4 5259 B12R2.2056 c1coc(n1)CNC2COC2 2230a_100016991112_103436540062 [0,1,0,1,0,0|2,0,0]=4 5260 B12R2.2056 c1coc(n1)CNC2COC2 270004a_100016991112_100000064290 [0,1,0,1,0,0|2,0,0]=4 5261 B12R2.2056 c1coc(n1)CNC2CSC2 270004a_100016994217_100000064290 [0,1,0,1,0,0|2,0,0]=4 5262 B12R2.2056 c1coc(n1)COC2CCC2 34a_100000062594_100000749161 [0,1,0,1,0,0|1,1,0]=4 5263 B12R2.2056 c1coc(n1)COC2CCC2 34a_100000748187_103436540062 [0,1,0,1,0,0|1,1,0]=4 5264 B12R2.2056 c1coc(n1)COC2COC2 34a_100000062594_100009818527 [0,1,0,1,0,0|1,1,0]=4 5265 B12R2.2056 c1coc(n1)COC2CSC2 7a_100000072292_103436540062 [0,1,0,1,0,0|1,1,0]=4 5266 B12R2.2056 c1coc(n1)CSC2CCC2 62a_103436540062_100000749161 [0,1,0,1,0,0|1,0,0]=3 5267 B12R2.2056 c1coc(n1)CSC2COC2 62a_103436540062_100009818527 [0,1,0,1,0,0|1,0,0]=3 5268 B12R2.2056 c1csc(c1)CNC2CCC2 270004a_100000211653_100000241760 [0,1,0,1,0,0|1,1,0]=4 5269 B12R2.2056 c1csc(c1)CNC2COC2 207a_100016991112_100000209959 [0,1,0,1,0,0|1,1,0]=4 5270 B12R2.2056 c1csc(c1)CNC2COC2 270004a_100016991112_100000209959 [0,1,0,1,0,0|1,1,0]=4 5271 B12R2.2056 c1csc(c1)CNC2CSC2 207a_100016994217_100000209959 [0,1,0,1,0,0|1,1,0]=4 5272 B12R2.2056 c1csc(c1)CNC2CSC2 270004a_100016994217_100000209959 [0,1,0,1,0,0|1,1,0]=4 5273 B12R2.2056 c1csc(c1)COC2CCC2 34a_100000211240_100000749161 [0,1,0,1,0,0|0,2,0]=4 5274 B12R2.2056 c1csc(c1)COC2COC2 34a_100000211240_100009818527 [0,1,0,1,0,0|0,2,0]=4 5275 B12R2.2056 c1csc(n1)CSC2CCC2 62a_100015184050_100000749161 [0,1,0,1,0,0|1,1,0]=4 5276 B12R2.2056 c1csc(n1)CSC2COC2 62a_100015184050_100009818527 [0,1,0,1,0,0|1,1,0]=4 5277 B12R2.2056 c1nc(c[nH]1)CSC2CCC2 62a_100000707719_100000749161 [0,1,0,1,0,0|2,0,0]=4 5278 B12R2.2056 c1nc(c[nH]1)CSC2COC2 62a_100000707719_100009818527 [0,1,0,1,0,0|2,0,0]=4 5279 B12R2.2056 c1nc(cs1)CSC2CCC2 62a_100000205941_100000749161 [0,1,0,1,0,0|2,0,0]=4 5280 B12R2.2056 c1nc(cs1)CSC2COC2 62a_100000205941_100009818527 [0,1,0,1,0,0|2,0,0]=4 5281 B12R2.2056 c1ncc(o1)CNC2CCC2 270004a_100020634212_100000241760 [0,1,0,1,0,0|2,0,0]=4 5282 B12R2.2056 c1ncc(o1)CNC2COC2 270004a_100016991112_100000064291 [0,1,0,1,0,0|2,0,0]=4 5283 B12R2.2056 c1ncc(o1)CNC2CSC2 270004a_100016994217_100000064291 [0,1,0,1,0,0|2,0,0]=4 5284 B12R2.2056 c1ncc(s1)CSC2CCC2 62a_100015185245_100000749161 [0,1,0,1,0,0|1,1,0]=4 5285 B12R2.2056 c1ncc(s1)CSC2COC2 62a_100015185245_100009818527 [0,1,0,1,0,0|1,1,0]=4 5286 B12R2.2399 CC1(CC1)NCc2ccco2 207a_100000757604_100000186105 [0,1,0,1,0,0|1,0,0]=3 5287 B12R2.2399 CC1(CC1)NCc2cccs2 207a_100000757604_100000209959 [0,1,0,1,0,0|1,1,0]=4 5288 B12R2.2399 CC1(CC1)NCc2ncco2 2230a_100000757604_103436540062 [0,1,0,1,0,0|2,0,0]=4 5289 B12R2.2399 CC1(CC1)OCc2ncco2 7a_100011725673_103436540062 [0,1,0,1,0,0|1,1,0]=4 5290 B12R2.2399 CC1(CO1)CSc2ccco2 62a_100000760498_100009814098 [0,1,0,1,0,0|2,0,0]=4 5291 B12R2.2399 CC1(CO1)CSc2ccco2 62a_100009814098_100000760498 [0,1,0,1,0,0|2,0,0]=4 5292 B12R2.1423 CN(Cc1ccco1)C2CC2 2230a_100000201577_200000210301 [0,1,0,1,0,0|1,0,0]=3 5293 B12R2.1423 CN(Cc1ccco1)C2CC2 269982a_100000185268_100000211595 [0,1,0,1,0,0|1,0,0]=3 5294 B12R2.1423 CN(Cc1ccco1)C2CC2 269982a_100000201577_200000210301 [0,1,0,1,0,0|1,0,0]=3 5295 B12R2.1423 CN(Cc1ccco1)C2CC2 270004a_100000226674_100000186105 [0,1,0,1,0,0|1,0,0]=3 5296 B12R2.1423 CN(Cc1ccco1)C2CC2 34a_100000201577_200000210301 [0,1,0,1,0,0|1,0,0]=3 5297 B12R2.1423 CN(Cc1cccs1)C2CC2 2230a_100000201566_200000210301 [0,1,0,1,0,0|1,1,0]=4 5298 B12R2.1423 CN(Cc1cccs1)C2CC2 269982a_100000184426_100000211595 [0,1,0,1,0,0|1,1,0]=4 5299 B12R2.1423 CN(Cc1cccs1)C2CC2 269982a_100000201566_200000210301 [0,1,0,1,0,0|1,1,0]=4 5300 B12R2.1423 CN(Cc1cccs1)C2CC2 270004a_100000226674_100000209959 [0,1,0,1,0,0|1,1,0]=4 5301 B12R2.1423 CN(Cc1cccs1)C2CC2 34a_100000201566_200000210301 [0,1,0,1,0,0|1,1,0]=4 5302 B12R2.1423 CN(Cc1cnco1)C2CC2 270004a_100000226674_100000064291 [0,1,0,1,0,0|2,0,0]=4 5303 B12R2.1423 CN(Cc1ncco1)C2CC2 2230a_100000226674_103436540062 [0,1,0,1,0,0|2,0,0]=4 5304 B12R2.1423 CN(Cc1ncco1)C2CC2 269982a_100000226674_103436540062 [0,1,0,1,0,0|2,0,0]=4 5305 B12R2.1423 CN(Cc1ncco1)C2CC2 270004a_100000226674_100000064290 [0,1,0,1,0,0|2,0,0]=4 5306 B12R2.1423 O=C(Cc1ncco1)C2CC2 1458a_100000210395_103436540062 [0,1,0,1,0,0|2,0,0]=4 5307 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 2230a_100000201577_200025704644 [0,1,0,1,0,0|1,0,0]=3 5308 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 269982a_100000201577_200025704644 [0,1,0,1,0,0|1,0,0]=3 5309 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 34a_100000201577_200025704644 [0,1,0,1,0,0|1,0,0]=3 5310 B12R2.1423 [13CH3]N(Cc1cccs1)C2CC2 2230a_100000201566_200025704644 [0,1,0,1,0,0|1,1,0]=4 5311 B12R2.1423 [13CH3]N(Cc1cccs1)C2CC2 269982a_100000201566_200025704644 [0,1,0,1,0,0|1,1,0]=4 5312 B12R2.1423 [13CH3]N(Cc1cccs1)C2CC2 34a_100000201566_200025704644 [0,1,0,1,0,0|1,1,0]=4 5313 B12R2.2298 Brc1cc(on1)CNC2CC2 34a_100015193020_100000211595 [0,1,0,1,0,0|2,0,0]=4 5314 B12R2.2298 Brc1cc(on1)COC2CC2 34a_100009816691_100000211595 [0,1,0,1,0,0|1,1,0]=4 5315 B12R2.2298 Brc1cc(on1)CSC2CC2 62a_100000709089_100000211595 [0,1,0,1,0,0|1,0,0]=3 5316 B12R2.2298 Brc1ccc(o1)CNC2CC2 34a_100000708654_100000211595 [0,1,0,1,0,0|1,0,0]=3 5317 B12R2.2298 Brc1ccc(o1)COC2CC2 34a_100000246276_100000211595 [0,1,0,1,0,0|0,1,0]=3 5318 B12R2.2298 Brc1ccc(s1)CNC2CC2 34a_100000212008_100000708592 [0,1,0,1,0,0|1,1,0]=4 5319 B12R2.2298 Brc1ccc(s1)CSC2CC2 62a_100000708592_100000211595 [0,1,0,1,0,0|0,1,0]=3 5320 B12R2.2298 Brc1csc(c1)CNC2CC2 34a_100000212008_100000746031 [0,1,0,1,0,0|1,1,0]=4 5321 B12R2.2298 Brc1csc(c1)CNC2CC2 34a_100000741024_100000211595 [0,1,0,1,0,0|1,1,0]=4 5322 B12R2.2298 Brc1csc(c1)COC2CC2 34a_100000238369_100000211595 [0,1,0,1,0,0|0,2,0]=4 5323 B12R2.2298 Brc1csc(c1)CSC2CC2 62a_100000746031_100000211595 [0,1,0,1,0,0|0,1,0]=3 5324 B12R2.2298 Brc1ncc(s1)CSC2CC2 62a_100000717027_100000211595 [0,1,0,1,0,0|1,1,0]=4 5325 B12R2.2298 Cc1cc(no1)CSC2CC2 62a_100000199038_100000211595 [0,1,0,1,0,0|2,0,0]=4 5326 B12R2.2298 Cc1cc(on1)CNC2CC2 34a_100000212008_100000707947 [0,1,0,1,0,0|2,0,0]=4 5327 B12R2.2298 Cc1cc(on1)CNC2CC2 34a_100000745748_100000211595 [0,1,0,1,0,0|2,0,0]=4 5328 B12R2.2298 Cc1cc(on1)COC2CC2 34a_100000684692_100000211595 [0,1,0,1,0,0|1,1,0]=4 5329 B12R2.2298 Cc1cc(on1)CSC2CC2 62a_100000707947_100000211595 [0,1,0,1,0,0|1,0,0]=3 5330 B12R2.2298 Cc1ccc(o1)CNC2CC2 34a_100011194323_100000211595 [0,1,0,1,0,0|1,0,0]=3 5331 B12R2.2298 Cc1ccc(o1)COC2CC2 34a_100011232665_100000211595 [0,1,0,1,0,0|0,1,0]=3 5332 B12R2.2298 Cc1ccc(s1)COC2CC2 34a_100000238367_100000211595 [0,1,0,1,0,0|0,2,0]=4 5333 B12R2.2298 Cc1cnc(o1)CNC2CC2 34a_100138411809_100000211595 [0,1,0,1,0,0|2,0,0]=4 5334 B12R2.2298 Cc1csc(c1)CNC2CC2 34a_100015204214_100000211595 [0,1,0,1,0,0|1,1,0]=4 5335 B12R2.2298 Cc1csc(c1)COC2CC2 34a_200000068372_100000211595 [0,1,0,1,0,0|0,2,0]=4 5336 B12R2.2298 Cc1nc(cs1)CSC2CC2 62a_100015186478_100000211595 [0,1,0,1,0,0|2,0,0]=4 5337 B12R2.2298 Cc1ncc(s1)CSC2CC2 62a_100020635045_100000211595 [0,1,0,1,0,0|1,1,0]=4 5338 B12R2.2298 Cc1nnc(o1)CSC2CC2 62a_100000181450_100000211595 [0,1,0,1,0,0|2,0,0]=4 5339 B12R2.2298 Cc1noc(n1)CSC2CC2 62a_100000735555_100000211595 [0,1,0,1,0,0|2,0,0]=4 5340 B12R2.2298 Clc1ccc(s1)CNC2CC2 34a_100000212008_100000185097 [0,1,0,1,0,0|1,1,0]=4 5341 B12R2.2298 Clc1ccc(s1)CSC2CC2 62a_100000185097_100000211595 [0,1,0,1,0,0|0,1,0]=3 5342 B12R2.2298 Clc1nc(cs1)CSC2CC2 62a_100000024076_100000211595 [0,1,0,1,0,0|2,0,0]=4 5343 B12R2.2298 Clc1ncc(s1)CSC2CC2 62a_100000058068_100000211595 [0,1,0,1,0,0|1,1,0]=4 5344 B12R2.2298 Cn1ccc(n1)CSC2CC2 62a_100000726502_100000211595 [0,1,0,1,0,0|2,0,0]=4 5345 B12R2.2298 Cn1cnc(c1)CSC2CC2 62a_100000717665_100000211595 [0,1,0,1,0,0|2,0,0]=4 5346 B12R2.2298 O=C1C=C(CO1)CSC2CC2 62a_100000716558_100000211595 [0,1,0,1,0,0|2,0,0]=4 5347 B12R2.2074 C[C@H](OC1CC1)c2ccco2 34a_100000755270_100000211595 [0,1,0,1,0,0|0,1,0]=3 5348 B12R2.466 Brc1ccsc1COC2CC2 34a_100000702026_100000211595 [0,1,0,1,0,0|0,2,0]=4 5349 B12R2.466 Brc1sccc1CSC2CC2 62a_100009814289_100000211595 [0,1,0,1,0,0|2,0,0]=4 5350 B12R2.466 Cc1[nH]cnc1CSC2CC2 62a_100000751220_100000211595 [0,1,0,1,0,0|2,0,0]=4 5351 B12R2.466 Cc1ccoc1COC2CC2 34a_100011273948_100000211595 [0,1,0,1,0,0|0,1,0]=3 5352 B12R2.466 Cc1ccsc1CNC2CC2 34a_100000238519_100000211595 [0,1,0,1,0,0|1,1,0]=4 5353 B12R2.466 Cc1ccsc1COC2CC2 34a_100000238368_100000211595 [0,1,0,1,0,0|0,2,0]=4 5354 B12R2.466 Cc1cnoc1COC2CC2 34a_200011065769_100000211595 [0,1,0,1,0,0|1,1,0]=4 5355 B12R2.466 Cc1ncoc1COC2CC2 34a_100000717716_100000211595 [0,1,0,1,0,0|1,1,0]=4 5356 B12R2.466 Cc1ocnc1CSC2CC2 62a_200000693990_100000211595 [0,1,0,1,0,0|2,0,0]=4 5357 B12R2.466 Clc1ccsc1CNC2CC2 34a_100011934584_100000211595 [0,1,0,1,0,0|1,1,0]=4 5358 B12R2.466 Clc1ccsc1COC2CC2 34a_100000722387_100000211595 [0,1,0,1,0,0|0,2,0]=4 5359 B12R2.466 Clc1sccc1CSC2CC2 62a_100010167017_100000211595 [0,1,0,1,0,0|2,0,0]=4 5360 B12R2.466 Cn1cccc1CNC2CC2 34a_100011219357_100000211595 [0,1,0,1,0,0|2,0,0]=4 5361 B12R2.466 Cn1ccnc1CSC2CC2 62a_100000700302_100000211595 [0,1,0,1,0,0|2,0,0]=4 5362 B12R2.466 Cn1nccc1CSC2CC2 62a_100000691648_100000211595 [0,1,0,1,0,0|2,0,0]=4 5363 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,0,1,0,1,0|0,0,2]=4 5364 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,0,1,0,1,0|0,0,2]=4 5365 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,0,1,0,1,0|0,0,2]=4 5366 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,0,1,0,1,0|0,0,2]=4 5367 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,0,1,0,1,0|0,0,2]=4 5368 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,0,1,0,1,0|0,0,2]=4 5369 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,0,1,0,1,0|2,0,0]=4 5370 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,0,1,0,1,0|2,0,0]=4 5371 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,0,1,0,1,0|1,0,1]=4 5372 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,0,1,0,1,0|1,0,1]=4 5373 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,0,1,0,1,0|1,0,1]=4 5374 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,1,0,1,0|0,0,2]=4 5375 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,2,0|0,0,2]=4 5376 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,0,0,0,2,0|0,0,2]=4 5377 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,0,0,0,2,0|0,0,2]=4 5378 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,0,0,0,2,0|0,0,2]=4 5379 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,0,0,0,2,0|0,0,2]=4 5380 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,1|2,0,0]=4 5381 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,1|2,0,0]=4 5382 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,1|2,0,0]=4 5383 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,1|2,0,0]=4 5384 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,1|2,0,0]=4 5385 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,1|2,0,0]=4 5386 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,1|2,0,0]=4 5387 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,1|2,0,0]=4 5388 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,1|2,0,0]=4 5389 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,1|2,0,0]=4 5390 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,1|2,0,0]=4 5391 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,1|2,0,0]=4 5392 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,1|2,0,0]=4 5393 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,1|2,0,0]=4 5394 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,1|2,0,0]=4 5395 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,1|2,0,0]=4 5396 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,1|2,0,0]=4 5397 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,1|2,0,0]=4 5398 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,1|2,0,0]=4 5399 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [1,0,0,0,0,1|2,0,0]=4 5400 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [1,0,0,0,0,1|2,0,0]=4 5401 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,1|2,0,0]=4 5402 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,1|2,0,0]=4 5403 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [1,0,0,0,0,1|2,0,0]=4 5404 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [1,0,0,0,0,1|2,0,0]=4 5405 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [1,0,0,0,0,1|2,0,0]=4 5406 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [1,0,0,0,0,1|2,0,0]=4 5407 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,1|1,1,0]=4 5408 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,1|1,1,0]=4 5409 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,1|1,1,0]=4 5410 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,1|1,1,0]=4 5411 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,1|1,1,0]=4 5412 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,0,0,0,1|1,1,0]=4 5413 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,0,0,0,1|1,1,0]=4 5414 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,0,0,0,0,1|1,1,0]=4 5415 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,1|1,0,0]=3 5416 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,1|1,0,0]=3 5417 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,1|1,0,0]=3 5418 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,1|1,0,0]=3 5419 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,1|1,0,0]=3 5420 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,1|1,0,0]=3 5421 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [1,0,0,0,0,1|1,0,0]=3 5422 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [1,0,0,0,0,1|1,0,0]=3 5423 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,1|1,0,0]=3 5424 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,1|1,0,0]=3 5425 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [1,0,0,0,0,1|1,0,0]=3 5426 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [1,0,0,0,0,1|1,0,0]=3 5427 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [1,0,0,0,0,1|2,0,0]=4 5428 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [1,0,0,0,0,1|2,0,0]=4 5429 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [1,0,0,0,0,1|1,0,0]=3 5430 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [1,0,0,0,0,1|1,0,0]=3 5431 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,1|2,0,0]=4 5432 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,1|2,0,0]=4 5433 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,0,0,0,0,1|2,0,0]=4 5434 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,0,0,0,0,1|2,0,0]=4 5435 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,0,0,0,0,1|2,0,0]=4 5436 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,0,0,0,0,1|2,0,0]=4 5437 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [1,0,0,0,0,1|2,0,0]=4 5438 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [1,0,0,0,0,1|2,0,0]=4 5439 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [1,0,0,0,0,1|2,0,0]=4 5440 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [1,0,0,0,0,1|2,0,0]=4 5441 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [1,0,0,0,0,1|2,0,0]=4 5442 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [1,0,0,0,0,1|2,0,0]=4 5443 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [1,0,0,0,0,1|2,0,0]=4 5444 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [1,0,0,0,0,1|2,0,0]=4 5445 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,0,0,0,0,2|2,0,0]=4 5446 B12R1.252 CC(C)CCNc1cccnn1 27a_100000210545_100016991348 [0,0,0,0,0,2|2,0,0]=4 5447 B12R1.252 CC(C)CCNc1ccncn1 27a_100000210545_100000703185 [0,0,0,0,0,2|2,0,0]=4 5448 B12R1.252 CC(C)CCNc1cnccn1 27a_100000210545_100000211759 [0,0,0,0,0,2|2,0,0]=4 5449 B12R1.252 CC(C)CCNc1ncccn1 27a_100000210545_100000211032 [0,0,0,0,0,2|2,0,0]=4 5450 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,2|2,0,0]=4 5451 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,2|2,0,0]=4 5452 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,0,0,0,0,2|2,0,0]=4 5453 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,0,0,0,0,2|2,0,0]=4 5454 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,0,0,0,0,2|2,0,0]=4 5455 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,0,0,0,0,2|2,0,0]=4 5456 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,0,0,0,0,2|2,0,0]=4 5457 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,0,0,0,0,2|2,0,0]=4 5458 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,0,0,0,0,2|2,0,0]=4 5459 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,0,0,0,0,2|2,0,0]=4 5460 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,0,0,0,0,2|2,0,0]=4 5461 B12R1.252 CC(C)CCSc1cccnn1 62a_100000210312_100016991348 [0,0,0,0,0,2|2,0,0]=4 5462 B12R1.252 CC(C)CCSc1cccnn1 62a_100016991348_100000210312 [0,0,0,0,0,2|2,0,0]=4 5463 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,0,0,0,0,2|2,0,0]=4 5464 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,0,0,0,0,2|2,0,0]=4 5465 B12R1.252 CC(C)CCSc1ccncn1 62a_100000210312_100000703185 [0,0,0,0,0,2|2,0,0]=4 5466 B12R1.252 CC(C)CCSc1ccncn1 62a_100000703185_100000210312 [0,0,0,0,0,2|2,0,0]=4 5467 B12R1.252 CC(C)CCSc1cnccn1 62a_100000210312_100000211759 [0,0,0,0,0,2|2,0,0]=4 5468 B12R1.252 CC(C)CCSc1cnccn1 62a_100000211759_100000210312 [0,0,0,0,0,2|2,0,0]=4 5469 B12R1.252 CC(C)CCSc1ncccn1 62a_100000210312_100000211032 [0,0,0,0,0,2|2,0,0]=4 5470 B12R1.252 CC(C)CCSc1ncccn1 62a_100000211032_100000210312 [0,0,0,0,0,2|2,0,0]=4 5471 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,0,0,0,0,2|2,0,0]=4 5472 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,0,0,0,0,2|2,0,0]=4 5473 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,0,0,0,0,2|2,0,0]=4 5474 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,0,0,0,0,2|2,0,0]=4 5475 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,0,0,0,0,2|2,0,0]=4 5476 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,0,0,0,0,2|2,0,0]=4 5477 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,0,0,0,0,2|2,0,0]=4 5478 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,0,0,0,0,2|2,0,0]=4 5479 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,0,0,0,0,2|2,0,0]=4 5480 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,0,0,0,0,2|2,0,0]=4 5481 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,0,0,0,0,2|2,0,0]=4 5482 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,0,0,0,0,2|2,0,0]=4 5483 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,0,0,0,0,2|2,0,0]=4 5484 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,0,0,0,0,2|2,0,0]=4 5485 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,0,0,0,0,2|2,0,0]=4 5486 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,0,0,0,0,2|2,0,0]=4 5487 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,0,0,0,0,2|2,0,0]=4 5488 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,0,0,0,0,2|2,0,0]=4 5489 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,0,0,0,0,2|2,0,0]=4 5490 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,0,0,0,0,2|2,0,0]=4 5491 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,0,0,0,0,2|2,0,0]=4 5492 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,0,0,0,0,2|2,0,0]=4 5493 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,0,0,0,0,2|2,0,0]=4 5494 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,0,0,0,0,2|2,0,0]=4 5495 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,0,0,0,0,2|2,0,0]=4 5496 B12R1.252 CC(C)CNCc1ncccn1 2230a_100000210953_100000703007 [0,0,0,0,0,2|2,0,0]=4 5497 B12R1.252 CC(C)CNCc1ncccn1 270004a_100000210953_100011532527 [0,0,0,0,0,2|2,0,0]=4 5498 B12R1.252 CC(C)CNCc1ncccn1 34a_100000210953_100000703007 [0,0,0,0,0,2|2,0,0]=4 5499 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,0,0,0,2|1,1,0]=4 5500 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,0,0,0,2|1,1,0]=4 5501 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,0,0,0,2|1,1,0]=4 5502 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,0,0,0,0,2|1,1,0]=4 5503 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,0,0,0,0,2|1,1,0]=4 5504 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,0,0,0,0,2|1,1,0]=4 5505 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,0,0,0,0,2|1,1,0]=4 5506 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,0,0,0,0,2|1,1,0]=4 5507 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,0,0,0,0,2|1,0,0]=3 5508 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,0,0,0,0,2|1,0,0]=3 5509 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,0,0,0,0,2|1,0,0]=3 5510 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,0,0,0,0,2|1,0,0]=3 5511 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,0,0,0,0,2|1,0,0]=3 5512 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,0,0,0,0,2|1,0,0]=3 5513 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,0,0,0,0,2|1,0,0]=3 5514 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,0,0,0,0,2|1,0,0]=3 5515 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,0,0,0,0,2|1,0,0]=3 5516 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,0,0,0,0,2|1,0,0]=3 5517 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,0,0,0,0,2|1,0,0]=3 5518 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,0,0,0,0,2|1,0,0]=3 5519 B12R1.252 CC(C)CSCc1cncnc1 62a_100000210624_100015196519 [0,0,0,0,0,2|2,0,0]=4 5520 B12R1.252 CC(C)CSCc1cncnc1 62a_100015196519_100000210760 [0,0,0,0,0,2|2,0,0]=4 5521 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,0,0,0,0,2|1,0,0]=3 5522 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,0,0,0,0,2|1,0,0]=3 5523 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,0,0,0,0,2|2,0,0]=4 5524 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,0,0,0,0,2|2,0,0]=4 5525 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,0,0,0,0,2|2,0,0]=4 5526 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,0,0,0,0,2|2,0,0]=4 5527 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,0,0,0,0,2|2,0,0]=4 5528 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,0,0,0,0,2|2,0,0]=4 5529 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,0,0,0,0,2|2,0,0]=4 5530 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,0,0,0,0,2|2,0,0]=4 5531 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,0,0,0,0,2|2,0,0]=4 5532 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,0,0,0,2|1,1,0]=4 5533 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,0,0,0,2|1,1,0]=4 5534 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,0,0,0,2|1,1,0]=4 5535 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,0,0,0,0,2|1,1,0]=4 5536 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,0,0,0,0,2|1,1,0]=4 5537 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,0,0,0,0,2|1,1,0]=4 5538 B12R1.252 CC(C)OCCc1cnccn1 34a_100011349526_100000210206 [0,0,0,0,0,2|1,1,0]=4 5539 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,0,0,0,0,2|1,1,0]=4 5540 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,0,0,0,0,2|1,1,0]=4 5541 B12R1.252 CC(C)OCOc1cccnc1 34a_100000210849_100000709892 [0,0,0,0,0,2|1,1,0]=4 5542 B12R1.252 CC(C)OCOc1ccncc1 34a_100000212176_100000709892 [0,0,0,0,0,2|1,1,0]=4 5543 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,0,0,0,0,2|1,1,0]=4 5544 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,0,0,0,0,2|1,1,0]=4 5545 B12R1.252 CC(C)OCSc1ccccn1 62a_100000709892_100011216584 [0,0,0,0,0,2|1,1,0]=4 5546 B12R1.252 CC(C)OCSc1ccccn1 62a_100011216584_100000709892 [0,0,0,0,0,2|1,1,0]=4 5547 B12R1.252 CC(C)OCSc1cccnc1 62a_100000210063_100000709892 [0,0,0,0,0,2|1,1,0]=4 5548 B12R1.252 CC(C)OCSc1cccnc1 62a_100000709892_100000210063 [0,0,0,0,0,2|1,1,0]=4 5549 B12R1.252 CC(C)OCSc1cccnn1 62a_100000709892_100016991348 [0,0,0,0,0,2|1,1,0]=4 5550 B12R1.252 CC(C)OCSc1cccnn1 62a_100016991348_100000709892 [0,0,0,0,0,2|1,1,0]=4 5551 B12R1.252 CC(C)OCSc1ccncc1 62a_100000709892_100000728582 [0,0,0,0,0,2|1,1,0]=4 5552 B12R1.252 CC(C)OCSc1ccncc1 62a_100000728582_100000709892 [0,0,0,0,0,2|1,1,0]=4 5553 B12R1.252 CC(C)OCSc1ccncn1 62a_100000703185_100000709892 [0,0,0,0,0,2|1,1,0]=4 5554 B12R1.252 CC(C)OCSc1ccncn1 62a_100000709892_100000703185 [0,0,0,0,0,2|1,1,0]=4 5555 B12R1.252 CC(C)OCSc1cnccn1 62a_100000211759_100000709892 [0,0,0,0,0,2|1,1,0]=4 5556 B12R1.252 CC(C)OCSc1cnccn1 62a_100000709892_100000211759 [0,0,0,0,0,2|1,1,0]=4 5557 B12R1.252 CC(C)OCSc1ncccn1 62a_100000211032_100000709892 [0,0,0,0,0,2|1,1,0]=4 5558 B12R1.252 CC(C)OCSc1ncccn1 62a_100000709892_100000211032 [0,0,0,0,0,2|1,1,0]=4 5559 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,0,0,0,0,2|1,0,0]=3 5560 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,0,0,0,0,2|1,0,0]=3 5561 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,0,0,0,0,2|1,0,0]=3 5562 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,0,0,0,0,2|1,0,0]=3 5563 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,0,0,0,0,2|1,0,0]=3 5564 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,0,0,0,0,2|1,0,0]=3 5565 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,0,0,0,0,2|1,0,0]=3 5566 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,0,0,0,0,2|1,0,0]=3 5567 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,0,0,0,0,2|1,0,0]=3 5568 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,0,0,0,0,2|1,0,0]=3 5569 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,2|2,0,0]=4 5570 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,2|2,0,0]=4 5571 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,0,0,0,2|2,0,0]=4 5572 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,0,0,0,2|2,0,0]=4 5573 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,0,0,0,0,2|2,0,0]=4 5574 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,0,0,0,0,2|2,0,0]=4 5575 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,0,0,0,0,2|2,0,0]=4 5576 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,0,0,0,0,2|2,0,0]=4 5577 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,0,0,0,0,2|2,0,0]=4 5578 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,0,0,0,0,2|2,0,0]=4 5579 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,0,0,0,0,2|2,0,0]=4 5580 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,0,0,0,0,2|2,0,0]=4 5581 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,0,0,0,0,2|2,0,0]=4 5582 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,0,0,0,0,2|2,0,0]=4 5583 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,0,0,0,0,2|2,0,0]=4 5584 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,0,0,0,0,2|2,0,0]=4 5585 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,2|2,0,0]=4 5586 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,2|2,0,0]=4 5587 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,0,0,0,2|2,0,0]=4 5588 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,0,0,0,2|2,0,0]=4 5589 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,0,0,0,0,2|2,0,0]=4 5590 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,0,0,0,0,2|2,0,0]=4 5591 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,0,0,0,0,2|2,0,0]=4 5592 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,0,0,0,0,2|2,0,0]=4 5593 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,0,0,0,0,2|2,0,0]=4 5594 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,0,0,0,0,2|2,0,0]=4 5595 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,0,0,0,0,2|2,0,0]=4 5596 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,0,0,0,0,2|2,0,0]=4 5597 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,0,0,0,0,2|2,0,0]=4 5598 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,0,0,0,0,2|2,0,0]=4 5599 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,0,0,0,0,2|1,0,1]=4 5600 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,0,0,0,0,2|1,0,1]=4 5601 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,0,0,0,0,2|1,0,1]=4 5602 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,0,0,0,0,2|1,0,1]=4 5603 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,0,0,0,0,2|1,0,1]=4 5604 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,0,0,0,0,2|0,1,1]=4 5605 B12R1.255 CC(=CCSCc1ncco1)C 62a_100000761012_103436540062 [0,0,0,0,0,2|1,0,1]=4 5606 B12R1.255 CC(=CCSCc1ncco1)C 62a_103436540062_100000761012 [0,0,0,0,0,2|1,0,1]=4 5607 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [0,0,0,0,0,2|1,0,0]=3 5608 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [0,0,0,0,0,2|1,0,0]=3 5609 B12R1.255 CC(C)CCCSc1cccs1 62a_100011214892_100011215356 [0,0,0,0,0,2|1,1,0]=4 5610 B12R1.255 CC(C)CCCSc1cccs1 62a_100011215356_100011214892 [0,0,0,0,0,2|1,1,0]=4 5611 B12R1.255 CC(C)CCCSc1cnco1 62a_100011214892_100020591547 [0,0,0,0,0,2|2,0,0]=4 5612 B12R1.255 CC(C)CCCSc1cnco1 62a_100020591547_100011214892 [0,0,0,0,0,2|2,0,0]=4 5613 B12R1.255 CC(C)CCCSc1ncco1 62a_100011214892_100011787736 [0,0,0,0,0,2|2,0,0]=4 5614 B12R1.255 CC(C)CCCSc1ncco1 62a_100011787736_100011214892 [0,0,0,0,0,2|2,0,0]=4 5615 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [0,0,0,0,0,2|1,0,0]=3 5616 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [0,0,0,0,0,2|1,0,0]=3 5617 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [0,0,0,0,0,2|1,0,0]=3 5618 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [0,0,0,0,0,2|1,0,0]=3 5619 B12R1.255 CC(C)CCNCc1cccs1 207a_100000210545_100000209959 [0,0,0,0,0,2|1,1,0]=4 5620 B12R1.255 CC(C)CCNCc1cccs1 2230a_100000211653_100000210312 [0,0,0,0,0,2|1,1,0]=4 5621 B12R1.255 CC(C)CCNCc1cccs1 269862a_100000211653_100000185833 [0,0,0,0,0,2|1,1,0]=4 5622 B12R1.255 CC(C)CCNCc1cccs1 270004a_100000210545_100000209959 [0,0,0,0,0,2|1,1,0]=4 5623 B12R1.255 CC(C)CCNCc1cnco1 269862a_100020634212_100000185833 [0,0,0,0,0,2|2,0,0]=4 5624 B12R1.255 CC(C)CCNCc1cnco1 270004a_100000210545_100000064291 [0,0,0,0,0,2|2,0,0]=4 5625 B12R1.255 CC(C)CCNCc1ncco1 2230a_100016994969_100000210312 [0,0,0,0,0,2|2,0,0]=4 5626 B12R1.255 CC(C)CCNCc1ncco1 270004a_100000210545_100000064290 [0,0,0,0,0,2|2,0,0]=4 5627 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [0,0,0,0,0,2|0,1,0]=3 5628 B12R1.255 CC(C)CCOCc1cccs1 34a_100000211240_100000210312 [0,0,0,0,0,2|0,2,0]=4 5629 B12R1.255 CC(C)CCOCc1ccno1 34a_100000740478_100000210312 [0,0,0,0,0,2|1,1,0]=4 5630 B12R1.255 CC(C)CCOCc1ncco1 34a_100000062594_100000210312 [0,0,0,0,0,2|1,1,0]=4 5631 B12R1.255 CC(C)CCOCc1ncco1 34a_100000210254_103436540062 [0,0,0,0,0,2|1,1,0]=4 5632 B12R1.255 CC(C)CCOCc1ncco1 7a_100000210254_103436540062 [0,0,0,0,0,2|1,1,0]=4 5633 B12R1.255 CC(C)CCSCc1c[nH]cn1 62a_100000210312_100000707719 [0,0,0,0,0,2|2,0,0]=4 5634 B12R1.255 CC(C)CCSCc1c[nH]cn1 62a_100000707719_100000210312 [0,0,0,0,0,2|2,0,0]=4 5635 B12R1.255 CC(C)CCSCc1ccn[nH]1 62a_100000210312_100000728653 [0,0,0,0,0,2|2,0,0]=4 5636 B12R1.255 CC(C)CCSCc1ccn[nH]1 62a_100000728653_100000210312 [0,0,0,0,0,2|2,0,0]=4 5637 B12R1.255 CC(C)CCSCc1ccon1 62a_100000210312_100000234950 [0,0,0,0,0,2|2,0,0]=4 5638 B12R1.255 CC(C)CCSCc1ccon1 62a_100000234950_100000210312 [0,0,0,0,0,2|2,0,0]=4 5639 B12R1.255 CC(C)CCSCc1ccsc1 62a_100000210312_100011233845 [0,0,0,0,0,2|2,0,0]=4 5640 B12R1.255 CC(C)CCSCc1ccsc1 62a_100011261437_100000210312 [0,0,0,0,0,2|2,0,0]=4 5641 B12R1.255 CC(C)CCSCc1cncs1 62a_100000210312_100015185245 [0,0,0,0,0,2|1,1,0]=4 5642 B12R1.255 CC(C)CCSCc1cncs1 62a_100015185245_100000210312 [0,0,0,0,0,2|1,1,0]=4 5643 B12R1.255 CC(C)CCSCc1cscn1 62a_100000205941_100000210312 [0,0,0,0,0,2|2,0,0]=4 5644 B12R1.255 CC(C)CCSCc1cscn1 62a_100000210312_100000205941 [0,0,0,0,0,2|2,0,0]=4 5645 B12R1.255 CC(C)CCSCc1ncc[nH]1 62a_100000210312_100016991755 [0,0,0,0,0,2|2,0,0]=4 5646 B12R1.255 CC(C)CCSCc1ncc[nH]1 62a_100016991755_100000210312 [0,0,0,0,0,2|2,0,0]=4 5647 B12R1.255 CC(C)CCSCc1ncco1 62a_100000210312_103436540062 [0,0,0,0,0,2|1,0,0]=3 5648 B12R1.255 CC(C)CCSCc1ncco1 62a_103436540062_100000210312 [0,0,0,0,0,2|1,0,0]=3 5649 B12R1.255 CC(C)CCSCc1nccs1 62a_100000210312_100015184050 [0,0,0,0,0,2|1,1,0]=4 5650 B12R1.255 CC(C)CCSCc1nccs1 62a_100015184050_100000210312 [0,0,0,0,0,2|1,1,0]=4 5651 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [0,0,0,0,0,2|1,0,0]=3 5652 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [0,0,0,0,0,2|1,0,0]=3 5653 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [0,0,0,0,0,2|1,0,0]=3 5654 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000203755_100000210760 [0,0,0,0,0,2|1,1,0]=4 5655 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000210953_100000748579 [0,0,0,0,0,2|1,1,0]=4 5656 B12R1.255 CC(C)CNCCc1cccs1 270004a_100000203755_100000210432 [0,0,0,0,0,2|1,1,0]=4 5657 B12R1.255 CC(C)CNCCc1cccs1 34a_100000203755_100000210624 [0,0,0,0,0,2|1,1,0]=4 5658 B12R1.255 CC(C)CNCCc1cccs1 34a_100000210953_100000748579 [0,0,0,0,0,2|1,1,0]=4 5659 B12R1.255 CC(C)COCCc1cccs1 34a_100000210257_100000748579 [0,0,0,0,0,2|0,2,0]=4 5660 B12R1.255 CC(C)COCCc1cccs1 34a_100011216825_100000210624 [0,0,0,0,0,2|0,2,0]=4 5661 B12R1.255 CC(C)COCCc1cccs1 7a_100011216825_100000210760 [0,0,0,0,0,2|0,2,0]=4 5662 B12R1.255 CC(C)CSCCc1c[nH]cn1 62a_100000210624_100020628418 [0,0,0,0,0,2|2,0,0]=4 5663 B12R1.255 CC(C)CSCCc1c[nH]cn1 62a_100020628418_100000210760 [0,0,0,0,0,2|2,0,0]=4 5664 B12R1.255 CC(C)CSCCc1cccs1 62a_100000210624_100000748579 [0,0,0,0,0,2|0,1,0]=3 5665 B12R1.255 CC(C)CSCCc1cccs1 62a_100000748579_100000210760 [0,0,0,0,0,2|0,1,0]=3 5666 B12R1.255 CC(C)CSCCn1cccc1 62a_100000210624_200000035178 [0,0,0,0,0,2|2,0,0]=4 5667 B12R1.255 CC(C)CSCCn1cccc1 62a_200009811947_100000210760 [0,0,0,0,0,2|2,0,0]=4 5668 B12R1.255 CC(C)CSCCn1cccn1 62a_100000210624_100000685285 [0,0,0,0,0,2|2,0,0]=4 5669 B12R1.255 CC(C)CSCCn1cccn1 62a_100015204718_100000210760 [0,0,0,0,0,2|2,0,0]=4 5670 B12R1.255 CC(C)NCCCc1cccs1 2230a_100138425928_100010992444 [0,0,0,0,0,2|1,1,0]=4 5671 B12R1.255 CC(C)NCCCc1cccs1 34a_100138425928_100010992444 [0,0,0,0,0,2|1,1,0]=4 5672 B12R1.255 CC(C)OCCCc1cccs1 34a_100000212225_100010992444 [0,0,0,0,0,2|0,2,0]=4 5673 B12R1.255 CC(C)OCCCc1cccs1 34a_100011713143_100000210206 [0,0,0,0,0,2|0,2,0]=4 5674 B12R1.255 CC(C)OCCCc1cccs1 7a_100011713143_100000210206 [0,0,0,0,0,2|0,2,0]=4 5675 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [0,0,0,0,0,2|0,1,0]=3 5676 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [0,0,0,0,0,2|0,1,0]=3 5677 B12R1.255 CC(C)OCCSc1cccs1 62a_100000211751_100011215356 [0,0,0,0,0,2|0,2,0]=4 5678 B12R1.255 CC(C)OCCSc1cccs1 62a_100011215356_100000211751 [0,0,0,0,0,2|0,2,0]=4 5679 B12R1.255 CC(C)OCCSc1cnco1 62a_100000211751_100020591547 [0,0,0,0,0,2|1,1,0]=4 5680 B12R1.255 CC(C)OCCSc1cnco1 62a_100020591547_100000211751 [0,0,0,0,0,2|1,1,0]=4 5681 B12R1.255 CC(C)OCCSc1ncco1 62a_100000211751_100011787736 [0,0,0,0,0,2|1,1,0]=4 5682 B12R1.255 CC(C)OCCSc1ncco1 62a_100011787736_100000211751 [0,0,0,0,0,2|1,1,0]=4 5683 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [0,0,0,0,0,2|0,1,0]=3 5684 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [0,0,0,0,0,2|0,1,0]=3 5685 B12R1.255 CC(C)OCNCc1cccs1 2230a_100000211653_100000709892 [0,0,0,0,0,2|0,2,0]=4 5686 B12R1.255 CC(C)OCNCc1ncco1 2230a_100016994969_100000709892 [0,0,0,0,0,2|1,1,0]=4 5687 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [0,0,0,0,0,2|0,1,0]=3 5688 B12R1.255 CC(C)OCOCc1cccs1 34a_100000211240_100000709892 [0,0,0,0,0,2|0,2,0]=4 5689 B12R1.255 CC(C)OCOCc1ccno1 34a_100000740478_100000709892 [0,0,0,0,0,2|1,1,0]=4 5690 B12R1.255 CC(C)OCOCc1ncco1 34a_100000062594_100000709892 [0,0,0,0,0,2|1,1,0]=4 5691 B12R1.255 CC(C)OCSCc1c[nH]cn1 62a_100000707719_100000709892 [0,0,0,0,0,2|2,0,0]=4 5692 B12R1.255 CC(C)OCSCc1c[nH]cn1 62a_100000709892_100000707719 [0,0,0,0,0,2|2,0,0]=4 5693 B12R1.255 CC(C)OCSCc1ccn[nH]1 62a_100000709892_100000728653 [0,0,0,0,0,2|2,0,0]=4 5694 B12R1.255 CC(C)OCSCc1ccn[nH]1 62a_100000728653_100000709892 [0,0,0,0,0,2|2,0,0]=4 5695 B12R1.255 CC(C)OCSCc1ccon1 62a_100000234950_100000709892 [0,0,0,0,0,2|2,0,0]=4 5696 B12R1.255 CC(C)OCSCc1ccon1 62a_100000709892_100000234950 [0,0,0,0,0,2|2,0,0]=4 5697 B12R1.255 CC(C)OCSCc1ccsc1 62a_100000709892_100011233845 [0,0,0,0,0,2|2,0,0]=4 5698 B12R1.255 CC(C)OCSCc1ccsc1 62a_100011261437_100000709892 [0,0,0,0,0,2|2,0,0]=4 5699 B12R1.255 CC(C)OCSCc1cncs1 62a_100000709892_100015185245 [0,0,0,0,0,2|1,1,0]=4 5700 B12R1.255 CC(C)OCSCc1cncs1 62a_100015185245_100000709892 [0,0,0,0,0,2|1,1,0]=4 5701 B12R1.255 CC(C)OCSCc1cscn1 62a_100000205941_100000709892 [0,0,0,0,0,2|2,0,0]=4 5702 B12R1.255 CC(C)OCSCc1cscn1 62a_100000709892_100000205941 [0,0,0,0,0,2|2,0,0]=4 5703 B12R1.255 CC(C)OCSCc1ncc[nH]1 62a_100000709892_100016991755 [0,0,0,0,0,2|2,0,0]=4 5704 B12R1.255 CC(C)OCSCc1ncc[nH]1 62a_100016991755_100000709892 [0,0,0,0,0,2|2,0,0]=4 5705 B12R1.255 CC(C)OCSCc1ncco1 62a_100000709892_103436540062 [0,0,0,0,0,2|1,0,0]=3 5706 B12R1.255 CC(C)OCSCc1ncco1 62a_103436540062_100000709892 [0,0,0,0,0,2|1,0,0]=3 5707 B12R1.255 CC(C)OCSCc1nccs1 62a_100000709892_100015184050 [0,0,0,0,0,2|1,1,0]=4 5708 B12R1.255 CC(C)OCSCc1nccs1 62a_100015184050_100000709892 [0,0,0,0,0,2|1,1,0]=4 5709 B12R1.255 CC(C)SCCCc1cccs1 62a_100000210206_100010992444 [0,0,0,0,0,2|0,1,0]=3 5710 B12R1.255 CC(C)SCCCc1cccs1 62a_100010992444_100000210206 [0,0,0,0,0,2|0,1,0]=3 5711 B12R1.255 CC(C)SCCCn1cccc1 62a_100000210206_200009814367 [0,0,0,0,0,2|2,0,0]=4 5712 B12R1.255 CC(C)SCCCn1cccc1 62a_200009814367_100000210206 [0,0,0,0,0,2|2,0,0]=4 5713 B12R1.255 CC(C)SCCCn1cccn1 62a_100000210206_100000739983 [0,0,0,0,0,2|2,0,0]=4 5714 B12R1.255 CC(C)SCCCn1cccn1 62a_100000739983_100000210206 [0,0,0,0,0,2|2,0,0]=4 5715 B12R1.255 CC(C)SCCOc1ccsc1 34a_100000106738_100000730970 [0,0,0,0,0,2|2,0,0]=4 5716 B12R1.255 CC(C)SCCOc1ccsc1 7a_100000106738_100000730970 [0,0,0,0,0,2|2,0,0]=4 5717 B12R1.255 CC(C)SCCSc1c[nH]cn1 62a_100000730970_100000756875 [0,0,0,0,0,2|2,0,0]=4 5718 B12R1.255 CC(C)SCCSc1c[nH]cn1 62a_100000756875_100000730970 [0,0,0,0,0,2|2,0,0]=4 5719 B12R1.255 CC(C)SCCSc1cc[nH]n1 62a_100000062575_100000730970 [0,0,0,0,0,2|2,0,0]=4 5720 B12R1.255 CC(C)SCCSc1cc[nH]n1 62a_100000730970_100000062575 [0,0,0,0,0,2|2,0,0]=4 5721 B12R1.255 CC(C)SCCSc1ccco1 62a_100000730970_100009814098 [0,0,0,0,0,2|0,0,0]=2 5722 B12R1.255 CC(C)SCCSc1ccco1 62a_100009814098_100000730970 [0,0,0,0,0,2|0,0,0]=2 5723 B12R1.255 CC(C)SCCSc1cccs1 62a_100000730970_100011215356 [0,0,0,0,0,2|0,1,0]=3 5724 B12R1.255 CC(C)SCCSc1cccs1 62a_100011215356_100000730970 [0,0,0,0,0,2|0,1,0]=3 5725 B12R1.255 CC(C)SCCSc1ccoc1 62a_100000730970_100011215275 [0,0,0,0,0,2|2,0,0]=4 5726 B12R1.255 CC(C)SCCSc1ccoc1 62a_100011215275_100000730970 [0,0,0,0,0,2|2,0,0]=4 5727 B12R1.255 CC(C)SCCSc1ccon1 62a_100000730970_100009818083 [0,0,0,0,0,2|2,0,0]=4 5728 B12R1.255 CC(C)SCCSc1ccon1 62a_100009818083_100000730970 [0,0,0,0,0,2|2,0,0]=4 5729 B12R1.255 CC(C)SCCSc1ccsc1 62a_100000730970_100000738268 [0,0,0,0,0,2|2,0,0]=4 5730 B12R1.255 CC(C)SCCSc1ccsc1 62a_100000738268_100000730970 [0,0,0,0,0,2|2,0,0]=4 5731 B12R1.255 CC(C)SCCSc1ccsn1 62a_100000730970_100009818082 [0,0,0,0,0,2|2,0,0]=4 5732 B12R1.255 CC(C)SCCSc1ccsn1 62a_100009818082_100000730970 [0,0,0,0,0,2|2,0,0]=4 5733 B12R1.255 CC(C)SCCSc1cnco1 62a_100000730970_100020591547 [0,0,0,0,0,2|1,0,0]=3 5734 B12R1.255 CC(C)SCCSc1cnco1 62a_100020591547_100000730970 [0,0,0,0,0,2|1,0,0]=3 5735 B12R1.255 CC(C)SCCSc1cncs1 62a_100000730970_100011934649 [0,0,0,0,0,2|1,1,0]=4 5736 B12R1.255 CC(C)SCCSc1cncs1 62a_100011934649_100000730970 [0,0,0,0,0,2|1,1,0]=4 5737 B12R1.255 CC(C)SCCSc1cscn1 62a_100000730970_100000751502 [0,0,0,0,0,2|2,0,0]=4 5738 B12R1.255 CC(C)SCCSc1cscn1 62a_100000751502_100000730970 [0,0,0,0,0,2|2,0,0]=4 5739 B12R1.255 CC(C)SCCSc1ncc[nH]1 62a_100000730970_100025796157 [0,0,0,0,0,2|2,0,0]=4 5740 B12R1.255 CC(C)SCCSc1ncc[nH]1 62a_100025796157_100000730970 [0,0,0,0,0,2|2,0,0]=4 5741 B12R1.255 CC(C)SCCSc1ncco1 62a_100000730970_100011787736 [0,0,0,0,0,2|1,0,0]=3 5742 B12R1.255 CC(C)SCCSc1ncco1 62a_100011787736_100000730970 [0,0,0,0,0,2|1,0,0]=3 5743 B12R1.255 CC(C)SCCSc1nccs1 62a_100000211983_100000730970 [0,0,0,0,0,2|1,1,0]=4 5744 B12R1.255 CC(C)SCCSc1nccs1 62a_100000730970_100000211983 [0,0,0,0,0,2|1,1,0]=4 5745 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,0,0,0,0,2|2,0,0]=4 5746 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,0,0,0,0,2|2,0,0]=4 5747 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [0,0,0,0,0,2|2,0,0]=4 5748 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [0,0,0,0,0,2|2,0,0]=4 5749 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [0,0,0,0,0,2|2,0,0]=4 5750 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [0,0,0,0,0,2|2,0,0]=4 5751 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,0,0,0,0,2|1,1,0]=4 5752 B12R1.255 CC(O)CCSCc1ncco1 62a_100012276601_103436540062 [0,0,0,0,0,2|2,0,0]=4 5753 B12R1.255 CC(O)CCSCc1ncco1 62a_103436540062_100012276601 [0,0,0,0,0,2|2,0,0]=4 5754 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [0,0,0,0,0,2|2,0,0]=4 5755 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [0,0,0,0,0,2|2,0,0]=4 5756 B12R1.255 CC(O)CSCCc1cccs1 62a_100000748579_100011218427 [0,0,0,0,0,2|1,1,0]=4 5757 B12R1.255 CC(O)CSCCc1cccs1 62a_100011218427_100000748579 [0,0,0,0,0,2|1,1,0]=4 5758 B12R1.255 CN(C)CCCSc1ccco1 62a_100009814098_100000757444 [0,0,0,0,0,2|2,0,0]=4 5759 B12R1.255 CN(C)CCNCc1ccco1 207a_100000210585_100000186105 [0,0,0,0,0,2|2,0,0]=4 5760 B12R1.255 CN(C)CCNCc1ccco1 270004a_100000210585_100000186105 [0,0,0,0,0,2|2,0,0]=4 5761 B12R1.255 CN(C)CCSCc1ncco1 62a_103436540062_100000755713 [0,0,0,0,0,2|2,0,0]=4 5762 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [0,0,0,0,0,2|2,0,0]=4 5763 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [0,0,0,0,0,2|2,0,0]=4 5764 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100000748579_100009817552 [0,0,0,0,0,2|1,1,0]=4 5765 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100009817552_100000748579 [0,0,0,0,0,2|1,1,0]=4