0 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.86 CC(=Cc1cncnc1C)C 271570a_100102525489_100009819671 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.86 CC(=Cc1ncc[nH]c1=O)C 271570a_100102525489_100000763361 [0,0,0,0,0,0|1,0,3]=4 8 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,0,0,0,0,0|0,0,2]=2 15 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.86 CC(=Cc1ncncc1C)C 271570a_100102525489_100011998708 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.86 CC(=Cc1nnccc1C)C 271570a_100102525489_100000089043 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.86 CC(C)Nc1ncncc1F 27a_100138425928_100000069762 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.86 CC(C)Nc1ncncc1N 27a_100138425928_100000709731 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.86 CC(C)Oc1cncnc1N 7a_100000112926_100000210206 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.86 CC(C)Sc1cccc[n+]1C 62a_100000210206_100000212160 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.86 CC(C)Sc1cncnc1Br 62a_100000210206_200012461658 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.86 CC(C)Sc1cncnc1Br 62a_200012461658_100000210206 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.86 CC(C)Sc1cncnc1Cl 62a_100000210206_100000758962 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.86 CC(C)Sc1cncnc1Cl 62a_100000758962_100000210206 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.86 CC(C)Sc1cncnc1N 62a_100000210206_100011996079 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.86 CC(C)Sc1cncnc1N 62a_100011996079_100000210206 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.86 CC(C)Sc1cncnc1O 62a_100000210206_100000751107 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.86 CC(C)Sc1cncnc1O 62a_100000751107_100000210206 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.86 CC(C)Sc1ncc[nH]c1=O 62a_100000210206_100000763361 [0,0,0,0,0,0|2,0,1]=3 102 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [0,0,0,0,0,0|2,0,0]=2 113 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [0,0,0,0,0,0|2,0,0]=2 114 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.86 CC(C)Sc1ncncc1F 62a_100000069762_100000210206 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.86 CC(C)Sc1ncncc1F 62a_100000210206_100000069762 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.86 CC(C)Sc1ncncc1N 62a_100000210206_100000709731 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.86 CC(C)Sc1ncncc1N 62a_100000709731_100000210206 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,0,0,0,0,0|4,0,0]=4 144 B11R1.86 CN(C)Cc1cccnc1Br 2230a_100102631434_100010140945 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.86 CN(C)Cc1cccnc1Br 269982a_100102631434_100010140945 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_100102631434_100000045678 [0,0,0,0,0,0|3,0,0]=3 147 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_103496529121_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_100102631434_100000045678 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_103496529121_200000210301 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.86 CN(C)Cc1cccnc1F 2230a_100102631434_100000099810 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.86 CN(C)Cc1cccnc1F 269982a_100102631434_100000099810 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,0,0,0,0,0|4,0,0]=4 165 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.86 CN([13CH3])Cc1cccnc1Cl 2230a_103496529121_200025704644 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.86 CN([13CH3])Cc1cccnc1Cl 269982a_103496529121_200025704644 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,0,0,0,0,0|3,0,0]=3 179 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,0,0,0,0,0|3,0,0]=3 181 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,0,0,0,0,0|3,0,0]=3 183 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,0,0,0,0,0|3,0,0]=3 184 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,0,0,0,0,0|3,0,0]=3 185 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,0,0,0,0|2,0,1]=3 186 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,0,0,0,0,0|2,0,0]=2 187 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,0,0,0,0,0|2,0,0]=2 188 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,0,0,0,0,0|2,0,0]=2 189 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,0,0,0,0,0|2,0,0]=2 190 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,0,0,0,0,0|2,0,0]=2 191 B11R1.86 Cc1ccncc1CN(C)C 2230a_100102631434_100000690890 [0,0,0,0,0,0|4,0,0]=4 192 B11R1.86 Cc1ccncc1CN(C)C 269982a_100102631434_100000690890 [0,0,0,0,0,0|4,0,0]=4 193 B11R1.86 Cc1ccncc1CN(C)C 270004a_100102631434_100000685662 [0,0,0,0,0,0|4,0,0]=4 194 B11R1.86 Cc1ccncc1OC(C)C 34a_100011997053_100000210206 [0,0,0,0,0,0|4,0,0]=4 195 B11R1.86 Cc1ccncc1OC(C)C 7a_100011997053_100000210206 [0,0,0,0,0,0|4,0,0]=4 196 B11R1.86 Cc1ccncc1SC(C)C 62a_100000210206_100000761580 [0,0,0,0,0,0|4,0,0]=4 197 B11R1.86 Cc1ccncc1SC(C)C 62a_100000761580_100000210206 [0,0,0,0,0,0|4,0,0]=4 198 B11R1.86 Cc1ccnnc1NC(C)C 27a_100138425928_100000089043 [0,0,0,0,0,0|3,0,0]=3 199 B11R1.86 Cc1ccnnc1SC(C)C 62a_100000210206_100000089043 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.86 Cc1cnccc1CN(C)C 2230a_100015187836_200000210301 [0,0,0,0,0,0|4,0,0]=4 201 B11R1.86 Cc1cnccc1CN(C)C 2230a_100102631434_100020672808 [0,0,0,0,0,0|4,0,0]=4 202 B11R1.86 Cc1cnccc1CN(C)C 269982a_100015187836_200000210301 [0,0,0,0,0,0|4,0,0]=4 203 B11R1.86 Cc1cnccc1CN(C)C 269982a_100102631434_100020672808 [0,0,0,0,0,0|4,0,0]=4 204 B11R1.86 Cc1cnccc1CN(C)[13CH3] 2230a_100015187836_200025704644 [0,0,0,0,0,0|4,0,0]=4 205 B11R1.86 Cc1cnccc1CN(C)[13CH3] 269982a_100015187836_200025704644 [0,0,0,0,0,0|4,0,0]=4 206 B11R1.86 Cc1cnccc1NC(C)C 27a_100138425928_100000765111 [0,0,0,0,0,0|4,0,0]=4 207 B11R1.86 Cc1cnccc1OC(C)C 34a_100000694293_100000210206 [0,0,0,0,0,0|4,0,0]=4 208 B11R1.86 Cc1cnccc1SC(C)C 62a_100000210206_100000765111 [0,0,0,0,0,0|4,0,0]=4 209 B11R1.86 Cc1cnccc1SC(C)C 62a_100000765111_100000210206 [0,0,0,0,0,0|4,0,0]=4 210 B11R1.86 Cc1cncnc1NC(C)C 27a_100138425928_100011998708 [0,0,0,0,0,0|3,0,0]=3 211 B11R1.86 Cc1cncnc1SC(C)C 62a_100000210206_100011998708 [0,0,0,0,0,0|3,0,0]=3 212 B11R1.86 Cc1cncnc1SC(C)C 62a_100011998708_100000210206 [0,0,0,0,0,0|3,0,0]=3 213 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [0,0,0,0,0,0|2,0,0]=2 214 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [0,0,0,0,0,0|2,0,0]=2 215 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [0,0,0,0,0,0|2,0,0]=2 216 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [0,0,0,0,0,0|2,0,0]=2 217 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [0,0,0,0,0,0|2,0,0]=2 218 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [0,0,0,0,0,0|2,0,0]=2 219 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [0,0,0,0,0,0|2,0,0]=2 220 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [0,0,0,0,0,0|2,0,0]=2 221 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [0,0,0,0,0,0|2,0,0]=2 222 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [0,0,0,0,0,0|2,0,0]=2 223 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [0,0,0,0,0,0|2,0,0]=2 224 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [0,0,0,0,0,0|1,0,0]=1 225 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [0,0,0,0,0,0|1,0,0]=1 226 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [0,0,0,0,0,0|1,0,0]=1 227 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,0,0,0,0,0|1,0,0]=1 228 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,0,0,0,0,0|1,0,0]=1 229 B11R1.86 Cc1ncncc1SC(C)C 62a_100000210206_100009819671 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.86 Cc1ncncc1SC(C)C 62a_100009819671_100000210206 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,0,0,0,0,0|3,0,1]=4 232 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,0,0,0,0|3,0,1]=4 233 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,0,0,0,0|3,0,1]=4 234 B10R1.4 C=C=Cc1nccnc1C 271570a_100015277604_100011999405 [1,0,0,0,0,0|0,0,3]=4 235 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,0,0,0,0,0|1,0,2]=4 236 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,0,0,0,0,0|1,0,2]=4 237 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [1,0,0,0,0,0|0,0,2]=3 238 B10R1.4 CC=Cc1nccnc1F 271570a_100016259895_200010125657 [1,0,0,0,0,0|1,0,2]=4 239 B10R1.4 CC=Cc1nccnc1N 271570a_100016259895_100000747729 [1,0,0,0,0,0|1,0,2]=4 240 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [1,0,0,0,0,0|1,0,0]=2 244 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [1,0,0,0,0,0|2,0,0]=3 245 B10R1.4 CCNc1ncncc1C 27a_100015525214_100011998708 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.4 CCNc1nnccc1C 27a_100015525214_100000089043 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,0,0,0,0,0|1,0,0]=2 267 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.4 CCSc1cncnc1C 62a_100000210202_100009819671 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.4 CCSc1cncnc1C 62a_100009819671_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.4 CCSc1ncc[nH]c1=O 62a_100000210202_100000763361 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,0,0,0,0,0|1,0,0]=2 298 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,0,0,0,0,0|1,0,0]=2 299 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.4 CCSc1ncncc1C 62a_100000210202_100011998708 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.4 CCSc1ncncc1C 62a_100011998708_100000210202 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.4 CCSc1nnccc1C 62a_100000210202_100000089043 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,0,0,0,0,0|2,0,0]=3 321 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,0,0,0,0,0|2,0,0]=3 324 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,0,0,0,0,0|2,0,0]=3 342 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,0,0,0,0,0|2,0,0]=3 343 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,0,0,0,0,0|2,0,0]=3 344 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,0,0,0,0,0|2,0,0]=3 345 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,0,0,0,0,0|2,0,0]=3 346 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,0,0,0,0,0|2,0,0]=3 347 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,0,0,0,0,0|3,0,0]=4 352 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,0,0,0,0,0|1,0,0]=2 361 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,0,0,0,0,0|1,0,0]=2 362 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,0,0,0,0,0|1,0,0]=2 363 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,0,0,0,0,0|2,0,0]=3 371 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,0,0,0,0,0|3,0,0]=4 378 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,0,0,0,0,0|2,0,0]=3 394 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,0,0,0,0,0|2,0,0]=3 395 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,0,0,0,0,0|2,0,0]=3 403 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,0,0,0,0,0|2,0,0]=3 416 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,0,0,0,0,0|2,0,0]=3 417 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,0,0,0,0,0|2,0,0]=3 418 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,0,0,0,0,0|3,0,0]=4 419 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,0,0,0,0,0|2,0,0]=3 421 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,0,0,0,0,0|2,0,0]=3 424 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,0,0,0,0,0|3,0,0]=4 425 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,0,0,0,0,0|1,0,0]=2 429 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,0,0,0,0,0|1,0,0]=2 430 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [1,0,0,0,0,0|2,0,0]=3 431 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [1,0,0,0,0,0|2,0,0]=3 432 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [1,0,0,0,0,0|2,0,0]=3 433 B10R1.4 FCSc1nccnc1Cl 62a_100010886584_100015361967 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.4 FCSc1nccnc1Cl 62a_100015361967_100010886584 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.4 FCSc1nccnc1F 62a_100015361967_200010125657 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.4 FCSc1nccnc1F 62a_200010125657_100015361967 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.4 Nc1nccnc1SCF 62a_100000747729_100015361967 [1,0,0,0,0,0|3,0,0]=4 438 B10R1.4 Nc1nccnc1SCF 62a_100015361967_100000747729 [1,0,0,0,0,0|3,0,0]=4 439 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,0,0,0,0,0|3,0,0]=4 440 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,0,0,0,0,0|3,0,0]=4 441 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,0,0,0,0,0|3,0,0]=4 442 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,0,0,0,0,0|3,0,0]=4 443 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,0,0,0,0,0|2,0,0]=3 447 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,0,0,0,0,0|3,0,0]=4 449 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,0,0,0,0,0|3,0,0]=4 450 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,0,0,0,0,0|3,0,0]=4 453 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,0,0,0,0,0|3,0,0]=4 454 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,0,0,0,0,0|3,0,0]=4 455 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,0,0,0,0,0|2,0,0]=3 458 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [1,0,0,0,0,0|3,0,0]=4 460 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [1,0,0,0,0,0|3,0,0]=4 461 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [1,0,0,0,0,0|3,0,0]=4 462 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [1,0,0,0,0,0|3,0,0]=4 463 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [1,0,0,0,0,0|3,0,0]=4 464 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,0,0,0,0,0|3,0,0]=4 465 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,0,0,0,0,0|3,0,0]=4 466 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,0,0,0,0,0|3,0,0]=4 467 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,0,0,0,0,0|3,0,0]=4 468 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,0,0,0,0,0|3,0,0]=4 469 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,0,0,0,0,0|3,0,0]=4 470 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,0,0,0,0,0|3,0,0]=4 471 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,0,0,0,0,0|3,0,0]=4 472 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,0|1,0,2]=4 473 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,0|1,0,2]=4 474 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [1,0,0,0,0,0|0,0,2]=3 475 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,1]=4 476 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,1]=4 477 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,1]=4 478 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,1]=4 479 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,0|1,0,1]=3 480 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|3,0,0]=4 481 B10R1.18 CC(C)Nc1cccnn1 27a_100138425928_100016991348 [1,0,0,0,0,0|3,0,0]=4 482 B10R1.18 CC(C)Nc1ccncn1 27a_100138425928_100000703185 [1,0,0,0,0,0|3,0,0]=4 483 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [1,0,0,0,0,0|1,0,0]=2 484 B10R1.18 CC(C)Nc1ncccn1 27a_100138425928_100000211032 [1,0,0,0,0,0|3,0,0]=4 485 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|3,0,0]=4 486 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|3,0,0]=4 487 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,0,0,0,0,0|2,0,0]=3 488 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,0,0,0,0,0|2,0,0]=3 489 B10R1.18 CC(C)Oc1ccnnc1 34a_100015204005_100000210206 [1,0,0,0,0,0|3,0,0]=4 490 B10R1.18 CC(C)Oc1cncnc1 7a_100000754086_100000210206 [1,0,0,0,0,0|3,0,0]=4 491 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|3,0,0]=4 492 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|3,0,0]=4 493 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,0,0,0,0,0|2,0,0]=3 494 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,0,0,0,0,0|2,0,0]=3 495 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,0,0,0,0,0|2,0,0]=3 496 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,0,0,0,0,0|2,0,0]=3 497 B10R1.18 CC(C)Sc1cccnn1 62a_100000210206_100016991348 [1,0,0,0,0,0|3,0,0]=4 498 B10R1.18 CC(C)Sc1cccnn1 62a_100016991348_100000210206 [1,0,0,0,0,0|3,0,0]=4 499 B10R1.18 CC(C)Sc1ccncn1 62a_100000210206_100000703185 [1,0,0,0,0,0|3,0,0]=4 500 B10R1.18 CC(C)Sc1ccncn1 62a_100000703185_100000210206 [1,0,0,0,0,0|3,0,0]=4 501 B10R1.18 CC(C)Sc1ccnnc1 62a_100000210206_100000732662 [1,0,0,0,0,0|3,0,0]=4 502 B10R1.18 CC(C)Sc1ccnnc1 62a_100000732662_100000210206 [1,0,0,0,0,0|3,0,0]=4 503 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [1,0,0,0,0,0|1,0,0]=2 504 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [1,0,0,0,0,0|1,0,0]=2 505 B10R1.18 CC(C)Sc1cncnc1 62a_100000210206_100011206942 [1,0,0,0,0,0|3,0,0]=4 506 B10R1.18 CC(C)Sc1cncnc1 62a_100011206942_100000210206 [1,0,0,0,0,0|3,0,0]=4 507 B10R1.18 CC(C)Sc1ncccn1 62a_100000210206_100000211032 [1,0,0,0,0,0|3,0,0]=4 508 B10R1.18 CC(C)Sc1ncccn1 62a_100000211032_100000210206 [1,0,0,0,0,0|3,0,0]=4 509 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 510 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|3,0,0]=4 511 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 512 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|3,0,0]=4 513 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|3,0,0]=4 514 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,0,0,0,0,0|2,0,0]=3 515 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,0,0,0,0,0|2,0,0]=3 516 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,0,0,0,0,0|2,0,0]=3 517 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,0,0,0,0,0|2,0,0]=3 518 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,0,0,0,0,0|2,0,0]=3 519 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,0,0,0,0,0|2,0,0]=3 520 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,0,0,0,0,0|2,0,0]=3 521 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,0,0,0,0,0|2,0,0]=3 522 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,0,0,0,0,0|2,0,0]=3 523 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,0,0,0,0,0|2,0,0]=3 524 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.18 CN(C)Cc1ccnnc1 270004a_100102631434_100011934578 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [1,0,0,0,0,0|1,0,0]=2 527 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [1,0,0,0,0,0|1,0,0]=2 528 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [1,0,0,0,0,0|1,0,0]=2 529 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [1,0,0,0,0,0|1,0,0]=2 530 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [1,0,0,0,0,0|1,0,0]=2 531 B10R1.18 CN(C)Cc1cncnc1 2230a_100102631434_100015196519 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.18 CN(C)Cc1cncnc1 269982a_100102631434_100016991940 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.18 CN(C)Cc1cncnc1 270004a_100102631434_100000749868 [1,0,0,0,0,0|3,0,0]=4 534 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [1,0,0,0,0,0|3,0,0]=4 535 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [1,0,0,0,0,0|3,0,0]=4 536 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [1,0,0,0,0,0|3,0,0]=4 537 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [1,0,0,0,0,0|3,0,0]=4 538 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,0,0,0,0,0|2,0,0]=3 542 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,0,0,0,0,0|2,0,0]=3 543 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,0,0,0,0,0|2,0,0]=3 545 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [1,0,0,0,0,0|1,0,0]=2 546 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [1,0,0,0,0,0|1,0,0]=2 547 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [1,0,0,0,0,0|3,0,0]=4 549 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,1]=4 550 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,1]=4 551 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.75 CC(=Cc1cccnc1CN)C 271570a_100102525489_100020591323 [0,1,0,0,0,0|1,0,2]=4 553 B12R1.75 CC(=Cc1cccnc1CO)C 271570a_100102525489_100011996772 [0,1,0,0,0,0|1,0,2]=4 554 B12R1.75 CC(=Cc1ncccc1CN)C 271570a_100102525489_100015189234 [0,1,0,0,0,0|1,0,2]=4 555 B12R1.75 CC(=Cc1ncccc1CO)C 271570a_100102525489_100000748726 [0,1,0,0,0,0|1,0,2]=4 556 B12R1.75 CC(=Cc1nccnc1C#N)C 271570a_100102525489_100000040484 [0,1,0,0,0,0|0,0,3]=4 557 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,1,0,0,0,0|0,0,2]=3 558 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,1,0,0,0,0|0,0,2]=3 559 B12R1.75 CC(=Cc1nccnc1NN)C 271570a_100102525489_100000755098 [0,1,0,0,0,0|1,0,2]=4 560 B12R1.75 CC(C)Nc1ccccc1CO 34a_100000212039_100000210206 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.75 CC(C)Nc1ncccc1C#N 27a_100138425928_100000211984 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.75 CC(C)Nc1nccnc1C#N 27a_100138425928_100000040484 [0,1,0,0,0,0|1,0,1]=3 565 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.75 CC(C)Oc1cccnc1C#N 34a_100000722750_100000210206 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.75 CC(C)Oc1cccnc1C#N 7a_100000722750_100000210206 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.75 CC(C)Oc1cccnc1CBr 34a_200020655725_100000210206 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.75 CC(C)Oc1cccnc1CBr 7a_200020655725_100000210206 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.75 CC(C)Oc1cccnc1CO 34a_100000731849_100000210206 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000210206_100000689332 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000689332_100000210206 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000187465_100000210206 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000210206_100000187465 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.75 CC(C)Sc1cccnc1C#N 62a_100000210206_100000685805 [0,1,0,0,0,0|2,0,1]=4 587 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100000210206_100011934733 [0,1,0,0,0,0|2,0,1]=4 588 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100011934733_100000210206 [0,1,0,0,0,0|2,0,1]=4 589 B12R1.75 CC(C)Sc1cccnc1CN 62a_100000210206_100020591323 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.75 CC(C)Sc1cccnc1CN 62a_100020591323_100000210206 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.75 CC(C)Sc1cccnc1CO 62a_100000210206_100011996772 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.75 CC(C)Sc1cccnc1CO 62a_100011996772_100000210206 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.75 CC(C)Sc1cccnc1NN 62a_100000210206_100011464834 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.75 CC(C)Sc1cccnc1NN 62a_100011464834_100000210206 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.75 CC(C)Sc1ncccc1C#N 62a_100000210206_100000211984 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,1,0,0,0,0|2,0,0]=3 600 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.75 CC(C)Sc1nccnc1C#N 62a_100000210206_100000040484 [0,1,0,0,0,0|1,0,1]=3 603 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000051000_100000210206 [0,1,0,0,0,0|1,0,1]=3 604 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000210206_100000051000 [0,1,0,0,0,0|1,0,1]=3 605 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,1,0,0,0,0|1,0,0]=2 606 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,1,0,0,0,0|1,0,0]=2 607 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,1,0,0,0,0|1,0,0]=2 608 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,1,0,0,0,0|1,0,0]=2 609 B12R1.75 CC(C)Sc1nccnc1NN 62a_100000210206_100000755098 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.75 CCc1ccccc1CN(C)C 270004a_100102631434_100011219594 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.75 CCc1cncnc1NC(C)C 27a_100138425928_200000100055 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.75 CCc1cncnc1SC(C)C 62a_100000210206_200000100055 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.75 CCc1cncnc1SC(C)C 62a_200000100055_100000210206 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,1,0,0,0,0|1,0,2]=4 622 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,1,0,0,0,0|0,0,2]=3 625 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,1,0,0,0,0|1,0,0]=2 626 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,1,0,0,0,0|1,0,0]=2 627 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,1,0,0,0,0|1,0,0]=2 628 B12R1.75 CCc1ncncc1NC(C)C 27a_100138425928_100009816992 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.75 CCc1ncncc1SC(C)C 62a_100000210206_100009816992 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.75 CCc1ncncc1SC(C)C 62a_100009816992_100000210206 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100000044721_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100102631434_100009816955 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100000044721_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100102631434_100009816955 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.75 CN(C)Cc1cccnc1C#N 2230a_100102631434_100011768898 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.75 CN(C)Cc1cccnc1C#N 269982a_100102631434_100011768898 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.75 CN(C)Cc1ncccc1C#N 2230a_100102631434_100000099805 [0,1,0,0,0,0|2,0,1]=4 640 B12R1.75 CN(C)Cc1ncccc1C#N 269982a_100102631434_100000099805 [0,1,0,0,0,0|2,0,1]=4 641 B12R1.75 CN([13CH3])Cc1ccccc1CO 2230a_100000044721_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.75 CN([13CH3])Cc1ccccc1CO 269982a_100000044721_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.75 CNc1cccnc1C=C(C)C 271570a_100102525489_200011806188 [0,1,0,0,0,0|1,0,2]=4 651 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.75 CNc1ncccc1C=C(C)C 271570a_100102525489_100000700899 [0,1,0,0,0,0|1,0,2]=4 653 B12R1.75 CNc1ncccc1SC(C)C 62a_100000210206_100000700899 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.75 CNc1ncccc1SC(C)C 62a_100000700899_100000210206 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,1,0,0,0,0|0,0,2]=3 656 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,1,0,0,0,0|1,0,0]=2 657 B12R1.75 CNc1ncncc1SC(C)C 62a_100000210206_200012180720 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.75 CNc1ncncc1SC(C)C 62a_200012180720_100000210206 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,1,0,0,0,0|1,0,2]=4 673 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,1,0,0,0,0|2,0,0]=3 676 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.75 COc1cncnc1NC(C)C 27a_100138425928_100012001275 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.75 COc1cncnc1SC(C)C 62a_100000210206_100012001275 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.75 COc1cncnc1SC(C)C 62a_100012001275_100000210206 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,1,0,0,0,0|1,0,2]=4 681 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,1,0,0,0,0|2,0,1]=4 682 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,1,0,0,0,0|2,0,0]=3 684 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,1,0,0,0,0|2,0,0]=3 686 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,1,0,0,0,0|0,0,2]=3 689 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,1,0,0,0,0|1,0,0]=2 690 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,1,0,0,0,0|1,0,0]=2 691 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,1,0,0,0,0|1,0,0]=2 692 B12R1.75 COc1ncncc1SC(C)C 62a_100000210206_100000719902 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.75 COc1ncncc1SC(C)C 62a_100000719902_100000210206 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.75 CSc1ncccc1C=C(C)C 271570a_100102525489_100011465278 [0,1,0,0,0,0|1,0,2]=4 710 B12R1.75 CSc1ncccc1SC(C)C 62a_100000210206_100011465278 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.75 CSc1ncccc1SC(C)C 62a_100011465278_100000210206 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.124 CC(=C(C)c1cccnc1C)C 271570a_200000049429_100000751574 [0,1,0,0,0,0|1,0,2]=4 713 B12R1.124 CC(=C(C)c1ncccc1C)C 271570a_200000049429_100000751373 [0,1,0,0,0,0|1,0,2]=4 714 B12R1.124 CC(=C(C)c1nccnc1C)C 271570a_200000049429_100011999405 [0,1,0,0,0,0|0,0,2]=3 715 B12R1.124 CC(=C(C)c1nccnc1F)C 271570a_200000049429_200010125657 [0,1,0,0,0,0|1,0,2]=4 716 B12R1.124 CC(=C(C)c1nccnc1N)C 271570a_200000049429_100000747729 [0,1,0,0,0,0|1,0,2]=4 717 B12R1.124 CC(C)N(C)c1ncccc1Br 27a_200000211004_100000696092 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.124 CC(C)N(C)c1nccnc1F 27a_200000211004_200010125657 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.124 Cc1ccnnc1N(C)C(C)C 27a_200000211004_100000089043 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.124 Cc1cncnc1N(C)C(C)C 27a_200000211004_100011998708 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.124 Cc1nccnc1N(C)C(C)C 27a_200000211004_100011999405 [0,1,0,0,0,0|1,0,0]=2 734 B12R1.127 CC(=Cc1cc(cnc1C)Br)C 271570a_100102525489_200010090566 [0,1,0,0,0,0|1,0,2]=4 735 B12R1.127 CC(=Cc1cc(cnc1C)C)C 271570a_100102525489_100009817436 [0,1,0,0,0,0|1,0,2]=4 736 B12R1.127 CC(=Cc1cc(cnc1C)F)C 271570a_100102525489_100009860710 [0,1,0,0,0,0|1,0,2]=4 737 B12R1.127 CC(=Cc1cc(cnc1C)N)C 271570a_100102525489_100011998591 [0,1,0,0,0,0|1,0,2]=4 738 B12R1.127 CC(=Cc1cc(cnc1C)O)C 271570a_100102525489_100009819603 [0,1,0,0,0,0|1,0,2]=4 739 B12R1.127 CC(=Cc1nc(ccc1C)C)C 271570a_100102525489_100009854376 [0,1,0,0,0,0|1,0,2]=4 740 B12R1.127 CC(=Cc1nc(ccc1C)N)C 271570a_100102525489_100000126722 [0,1,0,0,0,0|1,0,2]=4 741 B12R1.127 CC(=Cc1nc(cnc1C)C)C 271570a_100102525489_100000211308 [0,1,0,0,0,0|0,0,2]=3 742 B12R1.127 CC(=Cc1nc(cnc1C)N)C 271570a_100102525489_100009877824 [0,1,0,0,0,0|0,0,2]=3 743 B12R1.127 CC(=Cc1nc(cnc1N)Br)C 271570a_100102525489_100010988662 [0,1,0,0,0,0|1,0,2]=4 744 B12R1.127 CC(=Cc1nc(cnc1N)C)C 271570a_100102525489_100009819049 [0,1,0,0,0,0|1,0,2]=4 745 B12R1.127 CC(C)Nc1cc(cnc1F)Br 27a_100138425928_100010172738 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.127 CC(C)Nc1cc(cnc1F)Cl 27a_100138425928_100010188783 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.127 CC(C)Nc1nc(ccc1F)F 27a_100138425928_100010997973 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.127 CC(C)Nc1nc(ccc1N)F 27a_100138425928_100009879877 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.127 CC(C)Oc1cc(cnc1Br)Cl 34a_100000697010_100000210206 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.127 CC(C)Oc1cc(cnc1Br)Cl 7a_100000697010_100000210206 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.127 CC(C)Oc1cc(cnc1Br)F 34a_100009820119_100000210206 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.127 CC(C)Oc1cc(cnc1Br)F 7a_100009820119_100000210206 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.127 CC(C)Oc1cc(cnc1Cl)Br 34a_100012354860_100000210206 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.127 CC(C)Oc1cc(cnc1Cl)Br 7a_100012354860_100000210206 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.127 CC(C)Oc1cc(cnc1Cl)F 34a_100000079967_100000210206 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.127 CC(C)Oc1cc(cnc1Cl)F 7a_100000079967_100000210206 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.127 CC(C)Oc1cc(cnc1F)Br 34a_100009819871_100000210206 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.127 CC(C)Oc1cc(cnc1F)Br 7a_100009819871_100000210206 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.127 CC(C)Oc1cc(cnc1F)Cl 34a_100000094372_100000210206 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.127 CC(C)Oc1cc(cnc1F)Cl 7a_100000094372_100000210206 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.127 CC(C)Oc1cc(cnc1F)O 271570a_203496583355_200010713186 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.127 CC(C)Oc1cc(cnc1I)Br 34a_100010210634_100000210206 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.127 CC(C)Oc1cc(cnc1I)Br 7a_100010210634_100000210206 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.127 CC(C)Oc1cc(cnc1I)Cl 34a_100010233512_100000210206 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.127 CC(C)Oc1cc(cnc1I)Cl 7a_100010233512_100000210206 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.127 CC(C)Oc1cc(cnc1I)F 34a_100015624800_100000210206 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.127 CC(C)Oc1cc(cnc1I)F 7a_100015624800_100000210206 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.127 CC(C)Oc1cc(cnc1N)Br 34a_100009819042_100000210206 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.127 CC(C)Oc1cc(cnc1N)Br 7a_100009819042_100000210206 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.127 CC(C)Oc1cc(cnc1N)Cl 34a_100000123674_100000210206 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.127 CC(C)Oc1cc(cnc1N)Cl 7a_100000123674_100000210206 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.127 CC(C)Oc1cc(cnc1N)F 34a_100000094369_100000210206 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.127 CC(C)Oc1cc(cnc1N)F 7a_100000094369_100000210206 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.127 CC(C)Oc1nc(ccc1F)Cl 34a_100010729010_100000210206 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.127 CC(C)Sc1cc(cnc1Br)N 62a_100000210206_100010201102 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.127 CC(C)Sc1cc(cnc1Br)N 62a_100010201102_100000210206 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.127 CC(C)Sc1cc(cnc1Cl)Br 62a_100000210206_100009814771 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.127 CC(C)Sc1cc(cnc1Cl)Br 62a_100009814771_100000210206 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.127 CC(C)Sc1cc(cnc1Cl)Cl 62a_100000210206_200000062399 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.127 CC(C)Sc1cc(cnc1Cl)Cl 62a_200000062399_100000210206 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.127 CC(C)Sc1cc(cnc1Cl)N 62a_100000210206_100010253917 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.127 CC(C)Sc1cc(cnc1Cl)N 62a_100010253917_100000210206 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.127 CC(C)Sc1cc(cnc1F)Br 62a_100000210206_100010172738 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.127 CC(C)Sc1cc(cnc1F)Br 62a_100010172738_100000210206 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.127 CC(C)Sc1cc(cnc1F)Cl 62a_100000210206_100010188783 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.127 CC(C)Sc1cc(cnc1F)Cl 62a_100010188783_100000210206 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.127 CC(C)Sc1cc(cnc1F)F 62a_100000210206_100009820768 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.127 CC(C)Sc1cc(cnc1F)F 62a_100009820768_100000210206 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.127 CC(C)Sc1cc(cnc1F)N 62a_100000210206_100009840397 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.127 CC(C)Sc1cc(cnc1F)N 62a_100009840397_100000210206 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.127 CC(C)Sc1cc(cnc1F)O 62a_100000210206_100009817267 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.127 CC(C)Sc1cc(cnc1F)O 62a_100009817267_100000210206 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.127 CC(C)Sc1cc(cnc1N)Br 62a_100000210206_100000760472 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.127 CC(C)Sc1cc(cnc1N)Br 62a_100000760472_100000210206 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.127 CC(C)Sc1cc(cnc1N)Cl 62a_100000050159_100000210206 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.127 CC(C)Sc1cc(cnc1N)Cl 62a_100000210206_100000050159 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.127 CC(C)Sc1cc(cnc1N)F 62a_100000210206_100009814671 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.127 CC(C)Sc1cc(cnc1N)F 62a_100009814671_100000210206 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.127 CC(C)Sc1cc(cnc1N)N 62a_100000210206_200011934315 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.127 CC(C)Sc1cc(cnc1N)N 62a_200011934315_100000210206 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.127 CC(C)Sc1cc(cnc1O)Br 62a_100000210206_100010197142 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.127 CC(C)Sc1cc(cnc1O)Br 62a_100010197142_100000210206 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.127 CC(C)Sc1cc(cnc1O)Cl 62a_100000210206_100010188700 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.127 CC(C)Sc1cc(cnc1O)Cl 62a_100010188700_100000210206 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.127 CC(C)Sc1nc(ccc1Br)N 62a_100000210206_100010192275 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.127 CC(C)Sc1nc(ccc1Br)N 62a_100010192275_100000210206 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.127 CC(C)Sc1nc(ccc1F)Cl 62a_100000210206_100010136221 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.127 CC(C)Sc1nc(ccc1F)Cl 62a_100010136221_100000210206 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.127 CC(C)Sc1nc(ccc1F)F 62a_100000210206_100010997973 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.127 CC(C)Sc1nc(ccc1F)F 62a_100010997973_100000210206 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.127 CC(C)Sc1nc(ccc1F)N 62a_100000210206_100010892222 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.127 CC(C)Sc1nc(ccc1F)N 62a_100010892222_100000210206 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.127 CC(C)Sc1nc(ccc1N)Br 62a_100000210206_100010168765 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.127 CC(C)Sc1nc(ccc1N)Br 62a_100010168765_100000210206 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.127 CC(C)Sc1nc(ccc1N)Cl 62a_100000210206_100010233647 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.127 CC(C)Sc1nc(ccc1N)Cl 62a_100010233647_100000210206 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.127 CC(C)Sc1nc(ccc1N)F 62a_100000210206_100009879877 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.127 CC(C)Sc1nc(ccc1N)F 62a_100009879877_100000210206 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.127 CC(C)Sc1nc(ccc1N)N 62a_100000210206_200009884323 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.127 CC(C)Sc1nc(ccc1N)N 62a_200009884323_100000210206 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100000210206_100010253912 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100010253912_100000210206 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.127 CC(C)Sc1nc(ccc1O)Cl 62a_100000210206_100000696390 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100000210206_100010382442 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100010382442_100000210206 [0,1,0,0,0,0|3,0,0]=4 826 B12R1.127 CC(C)Sc1nc(cnc1N)Br 62a_100000210206_100010988662 [0,1,0,0,0,0|2,0,0]=3 827 B12R1.127 CC(C)Sc1nc(cnc1N)Br 62a_100010988662_100000210206 [0,1,0,0,0,0|2,0,0]=3 828 B12R1.127 CN(C)Cc1cc(cnc1Br)Br 2230a_100102631434_100010253922 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.127 CN(C)Cc1cc(cnc1Br)Br 269982a_100102631434_100010253922 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.127 CN(C)Cc1cc(cnc1Cl)Br 2230a_100102631434_100009816982 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.127 CN(C)Cc1cc(cnc1Cl)Br 269982a_100102631434_100009816982 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.127 CN(C)Cc1cc(cnc1O)Br 270004a_100102631434_100010064889 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.127 CN(C)Cc1nc(ccc1Br)Cl 270004a_100102631434_100000734296 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.127 CN(C)Cc1nc(ccc1Cl)Cl 2230a_100102631434_100000059412 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.127 CN(C)Cc1nc(ccc1Cl)Cl 270004a_100102631434_100011935248 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.127 CN(C)Cc1nc(ccc1F)Br 2230a_100102631434_100010065826 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.127 CN(C)Cc1nc(ccc1F)Br 269982a_100102631434_100010065826 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.127 CN(C)Cc1nc(ccc1F)Br 270004a_100102631434_100009814804 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.127 CN(C)Cc1nc(ccc1F)Cl 2230a_100102631434_100009881012 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.127 CN(C)Cc1nc(ccc1F)Cl 269982a_100102631434_100009881012 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.127 CN(C)Cc1nc(ccc1F)Cl 270004a_100102631434_100000050918 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.127 Cc1c[nH]c(=O)c(n1)SC(C)C 62a_100000210206_100009858157 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.127 Cc1c[nH]c(=O)c(n1)SC(C)C 62a_100009858157_100000210206 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 2230a_100102631434_100000184699 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 269982a_100102631434_100000184699 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100000211343 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 2230a_100000185781_100000210206 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 34a_100000185781_100000210206 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 7a_100000185781_100000210206 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210206_100000210833 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210833_100000210206 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.127 Cc1ccc(c(n1)CN(C)C)Br 270004a_100102631434_100010173661 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.127 Cc1ccc(c(n1)CN(C)C)Cl 2230a_100102631434_200009852033 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 2230a_100102631434_100020630696 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 269982a_100102631434_100020630696 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.127 Cc1ccc(c(n1)OC(C)C)Br 34a_100009817604_100000210206 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.127 Cc1ccc(c(n1)OC(C)C)N 34a_100000687486_100000210206 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100000210206_100009854376 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100009854376_100000210206 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.127 Cc1ccc(c(n1)SC(C)C)F 62a_100000210206_100009817602 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.127 Cc1ccc(c(n1)SC(C)C)F 62a_100009817602_100000210206 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.127 Cc1ccc(c(n1)SC(C)C)N 62a_100000210206_100000685570 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.127 Cc1ccc(c(n1)SC(C)C)N 62a_100000685570_100000210206 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000210206_100000702858 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000702858_100000210206 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.127 Cc1ccc(cc1CN(C)C)Br 2230a_106744473289_200000210301 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.127 Cc1ccc(cc1CN(C)C)Br 269982a_106744473289_200000210301 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.127 Cc1ccc(cc1CN(C)C)Br 270004a_100102631434_100011361606 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100012186985 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100012186985 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100011551331 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.127 Cc1ccc(cc1CN(C)C)F 2230a_100102631434_100000709795 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.127 Cc1ccc(cc1CN(C)C)F 269982a_100102631434_100000709795 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.127 Cc1ccc(cc1CN(C)C)F 270004a_100102631434_100000697687 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.127 Cc1ccc(cc1CN(C)[13CH3])Br 2230a_106744473289_200025704644 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.127 Cc1ccc(cc1CN(C)[13CH3])Br 269982a_106744473289_200025704644 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.127 Cc1ccc(cc1NC(C)C)Br 34a_100000741167_100000210206 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.127 Cc1ccc(cc1NC(C)C)Br 7a_100000741167_100000210206 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 34a_100000211374_100000210206 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 7a_100000211374_100000210206 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.127 Cc1ccc(cc1NC(C)C)F 34a_100000211107_100000210206 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.127 Cc1ccc(cc1NC(C)C)F 7a_100000211107_100000210206 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.127 Cc1ccc(cc1NC(C)C)I 7a_100000761890_100000210206 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.127 Cc1ccc(cc1NC(C)C)O 271570a_203496583355_200000714908 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.127 Cc1ccc(cc1NC(C)C)O 34a_100011216113_100000210206 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.127 Cc1ccc(cc1OC(C)C)Br 34a_100000685420_100000210206 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.127 Cc1ccc(cc1OC(C)C)Br 7a_100000685420_100000210206 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 34a_100000756515_100000210206 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 7a_100000756515_100000210206 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.127 Cc1ccc(cc1OC(C)C)F 34a_100000690566_100000210206 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.127 Cc1ccc(cc1OC(C)C)F 7a_100000690566_100000210206 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.127 Cc1ccc(cc1OC(C)C)I 7a_100000766334_100000210206 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.127 Cc1ccc(cc1OC(C)C)N 34a_100000759471_100000210206 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.127 Cc1ccc(cc1OC(C)C)N 7a_100000759471_100000210206 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.127 Cc1ccc(cc1OC(C)C)O 271570a_203496583355_200012359587 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.127 Cc1ccc(cc1SC(C)C)Br 62a_100000210206_100011344865 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.127 Cc1ccc(cc1SC(C)C)Br 62a_100011344865_100000210206 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.127 Cc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011263213 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.127 Cc1ccc(cc1SC(C)C)Cl 62a_100011263213_100000210206 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.127 Cc1ccc(cc1SC(C)C)F 62a_100000210206_100011218078 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.127 Cc1ccc(cc1SC(C)C)F 62a_100011218078_100000210206 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.127 Cc1ccc(cc1SC(C)C)N 62a_100000210206_100000736455 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.127 Cc1ccc(cc1SC(C)C)N 62a_100000736455_100000210206 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100000210206_100011380479 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100011380479_100000210206 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000126722_100000210206 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000210206_100000126722 [0,1,0,0,0,0|2,0,0]=3 910 B12R1.127 Cc1cnc(c(c1)NC(C)C)F 27a_100138425928_100009820679 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.127 Cc1cnc(c(c1)OC(C)C)Cl 34a_100012000487_100000210206 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.127 Cc1cnc(c(c1)OC(C)C)Cl 7a_100012000487_100000210206 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.127 Cc1cnc(c(c1)OC(C)C)F 34a_100009849810_100000210206 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.127 Cc1cnc(c(c1)OC(C)C)F 7a_100009849810_100000210206 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.127 Cc1cnc(c(c1)SC(C)C)C 62a_100000210206_100009817436 [0,1,0,0,0,0|2,0,0]=3 916 B12R1.127 Cc1cnc(c(c1)SC(C)C)C 62a_100009817436_100000210206 [0,1,0,0,0,0|2,0,0]=3 917 B12R1.127 Cc1cnc(c(c1)SC(C)C)Cl 62a_100000210206_100010210167 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.127 Cc1cnc(c(c1)SC(C)C)Cl 62a_100010210167_100000210206 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.127 Cc1cnc(c(c1)SC(C)C)F 62a_100000049784_100000210206 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.127 Cc1cnc(c(c1)SC(C)C)F 62a_100000210206_100000049784 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.127 Cc1cnc(c(c1)SC(C)C)N 62a_100000049664_100000210206 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.127 Cc1cnc(c(c1)SC(C)C)N 62a_100000210206_100000049664 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.127 Cc1cnc(c(c1)SC(C)C)O 62a_100000210206_100000719714 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.127 Cc1cnc(c(c1)SC(C)C)O 62a_100000719714_100000210206 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.127 Cc1cnc(c(n1)NC(C)C)C 27a_100138425928_100000211308 [0,1,0,0,0,0|1,0,0]=2 926 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000210206_100000211308 [0,1,0,0,0,0|1,0,0]=2 927 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000211308_100000210206 [0,1,0,0,0,0|1,0,0]=2 928 B12R1.127 Cc1cnc(c(n1)SC(C)C)N 62a_100000210206_100009819049 [0,1,0,0,0,0|2,0,0]=3 929 B12R1.127 Cc1cnc(c(n1)SC(C)C)N 62a_100009819049_100000210206 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.127 Cc1cnc(nc1NC(C)C)N 27a_100138425928_100000016107 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.127 Cc1cnc(nc1SC(C)C)N 62a_100000016107_100000210206 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.127 Cc1cnc(nc1SC(C)C)N 62a_100000210206_100000016107 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.127 Cc1ncc(cc1CN(C)C)Cl 270004a_100102631434_100000100030 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.127 Cc1ncc(cc1OC(C)C)Br 34a_100009864810_100000210206 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.127 Cc1ncc(cc1OC(C)C)Br 7a_100009864810_100000210206 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.127 Cc1ncc(cc1SC(C)C)Br 62a_100000210206_200010090566 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.127 Cc1ncc(cc1SC(C)C)Br 62a_200010090566_100000210206 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.127 Cc1ncc(cc1SC(C)C)F 62a_100000210206_100009860710 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.127 Cc1ncc(cc1SC(C)C)F 62a_100009860710_100000210206 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.127 Cc1ncc(cc1SC(C)C)N 62a_100000210206_100011998591 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.127 Cc1ncc(cc1SC(C)C)N 62a_100011998591_100000210206 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.127 Cc1ncc(cc1SC(C)C)O 62a_100000210206_100009819603 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.127 Cc1ncc(cc1SC(C)C)O 62a_100009819603_100000210206 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100000210206_100009877824 [0,1,0,0,0,0|1,0,0]=2 945 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100009877824_100000210206 [0,1,0,0,0,0|1,0,0]=2 946 B12R1.151 CC(C)(C)Oc1cccnc1Br 34a_100000744436_100000210625 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.151 CC(C)(C)Oc1cccnc1Cl 34a_100000757616_100000210625 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.151 CC(C)(C)Oc1cccnc1F 34a_100000061740_100000210625 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.151 CC(C)(C)Oc1cccnc1I 34a_100000034122_100000210625 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.151 CC(C)(C)Oc1cccnc1N 34a_100000211975_100000210625 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.151 CC(C)(C)Oc1ncccc1Cl 34a_100011290957_100000210625 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.151 CC(C)(C)Oc1ncccc1F 34a_100011219419_100000210625 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.151 CC(C)(C)Oc1ncccc1N 34a_100000746358_100000210625 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.151 CC(C)(C)Oc1ncccc1O 271570a_203496583355_100011465193 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.151 CC(C)(C)Sc1cccnc1Br 62a_100000211941_100010202626 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.151 CC(C)(C)Sc1cccnc1Br 62a_100010202626_100000211941 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.151 CC(C)(C)Sc1cccnc1Cl 62a_100000036424_100000211941 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.151 CC(C)(C)Sc1cccnc1Cl 62a_100000211941_100000036424 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.151 CC(C)(C)Sc1cccnc1F 62a_100000211941_100009816115 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.151 CC(C)(C)Sc1cccnc1F 62a_100009816115_100000211941 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.151 CC(C)(C)Sc1cccnc1N 62a_100000045569_100000211941 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.151 CC(C)(C)Sc1cccnc1N 62a_100000211941_100000045569 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.151 CC(C)(C)Sc1cccnc1O 62a_100000211941_100000760158 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.151 CC(C)(C)Sc1cccnc1O 62a_100000760158_100000211941 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.151 CC(C)(C)Sc1ncc[nH]c1=O 62a_100000211941_100000763361 [0,1,0,0,0,0|2,0,1]=4 966 B12R1.151 CC(C)(C)Sc1ncccc1Br 62a_100000211941_100000696092 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.151 CC(C)(C)Sc1ncccc1Br 62a_100000696092_100000211941 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.151 CC(C)(C)Sc1ncccc1Cl 62a_100000211941_100011356963 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.151 CC(C)(C)Sc1ncccc1Cl 62a_100011356963_100000211941 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.151 CC(C)(C)Sc1ncccc1F 62a_100000211941_100000685392 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.151 CC(C)(C)Sc1ncccc1F 62a_100000685392_100000211941 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.151 CC(C)(C)Sc1ncccc1N 62a_100000211941_100000688686 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.151 CC(C)(C)Sc1ncccc1N 62a_100000688686_100000211941 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000034122_100000211941 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000211941_100000034122 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.151 CC(C)(C)Sc1nccnc1Cl 62a_100000211941_100010886584 [0,1,0,0,0,0|2,0,0]=3 977 B12R1.151 CC(C)(C)Sc1nccnc1Cl 62a_100010886584_100000211941 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.151 CC(C)(C)Sc1nccnc1F 62a_100000211941_200010125657 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.151 CC(C)(C)Sc1nccnc1F 62a_200010125657_100000211941 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.151 CC(C)(C)Sc1nccnc1N 62a_100000211941_100000747729 [0,1,0,0,0,0|2,0,0]=3 981 B12R1.151 CC(C)(C)Sc1nccnc1N 62a_100000747729_100000211941 [0,1,0,0,0,0|2,0,0]=3 982 B12R1.151 CC(C)(N)Cc1ccccc1O 271570a_203496583355_100161000475 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.151 Cc1ccccc1NC(C)(C)C 34a_100015192222_100000210625 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.151 Cc1ccccc1OC(C)(C)C 34a_100000210338_100000210625 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.151 Cc1ccccc1SC(C)(C)C 62a_100000210755_100000211941 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.151 Cc1ccccc1SC(C)(C)C 62a_100000211941_100000210755 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000211941_100000751373 [0,1,0,0,0,0|2,0,0]=3 988 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000751373_100000211941 [0,1,0,0,0,0|2,0,0]=3 989 B12R1.151 Cc1ccnnc1SC(C)(C)C 62a_100000211941_100000089043 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.151 Cc1cncnc1SC(C)(C)C 62a_100000211941_100011998708 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.151 Cc1cncnc1SC(C)(C)C 62a_100011998708_100000211941 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.151 Cc1ncccc1OC(C)(C)C 34a_100000745507_100000210625 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.151 Cc1ncccc1SC(C)(C)C 62a_100000211941_100000751574 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.151 Cc1ncccc1SC(C)(C)C 62a_100000751574_100000211941 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.151 Cc1nccnc1OC(C)(C)C 34a_100000766352_100000210625 [0,1,0,0,0,0|1,0,0]=2 996 B12R1.151 Cc1nccnc1OC(F)(F)F 34a_100000766352_200103152311 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100000211941_100011999405 [0,1,0,0,0,0|1,0,0]=2 998 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100011999405_100000211941 [0,1,0,0,0,0|1,0,0]=2 999 B12R1.151 Cc1nccnc1SC(F)(F)F 62a_100011999405_200103152311 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.151 Cc1nccnc1SC(F)(F)F 62a_200000243211_100011999405 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.151 Cc1ncncc1SC(C)(C)C 62a_100000211941_100009819671 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.151 Cc1ncncc1SC(C)(C)C 62a_100009819671_100000211941 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.224 CC(=Cc1nccc(c1C)C)C 271570a_100102525489_100009847204 [0,1,0,0,0,0|1,0,2]=4 1004 B12R1.224 CC(=Cc1nccc(c1C)F)C 271570a_100102525489_100009846374 [0,1,0,0,0,0|1,0,2]=4 1005 B12R1.224 CC(=Cc1nccc(c1C)N)C 271570a_100102525489_100009980296 [0,1,0,0,0,0|1,0,2]=4 1006 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,1,0,0,0,0|2,0,1]=4 1007 B12R1.224 CC(C)Oc1nccc(c1Cl)N 34a_200000093555_100000210206 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.224 CC(C)Sc1nccc(c1F)N 62a_100000210206_100015205195 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.224 CC(C)Sc1nccc(c1F)N 62a_100015205195_100000210206 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.224 CC(C)Sc1nccc(c1F)O 62a_100000210206_100009876375 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.224 CC(C)Sc1nccc(c1F)O 62a_100009876375_100000210206 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.224 CC(C)Sc1nccc(c1N)N 62a_100000085203_100000210206 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.224 CC(C)Sc1nccc(c1N)N 62a_100000210206_100000085203 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.224 CC(C)Sc1nccc(c1O)F 62a_100000210206_100009867227 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.224 CC(C)Sc1nccc(c1O)N 62a_100000210206_100009844647 [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.224 CN(C)Cc1nccc(c1F)Br 270004a_100102631434_100015713984 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.224 Cc1c(cccc1CN(C)C)Br 2230a_100102631434_100000694682 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.224 Cc1c(cccc1CN(C)C)Br 269982a_100102631434_100000694682 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.224 Cc1c(cccc1CN(C)C)Br 270004a_100102631434_100012179384 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.224 Cc1c(cccc1CN(C)C)Cl 2230a_100102631434_100012186920 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.224 Cc1c(cccc1CN(C)C)Cl 269982a_100102631434_100012186920 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.224 Cc1c(cccc1CN(C)C)Cl 270004a_100102631434_100012002129 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.224 Cc1c(cccc1CN(C)C)F 2230a_100102631434_100009813626 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.224 Cc1c(cccc1CN(C)C)F 269982a_100102631434_100009813626 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.224 Cc1c(cccc1CN(C)C)F 270004a_100102631434_100000037668 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.224 Cc1c(cccc1CN(C)C)I 2230a_100102631434_100010150147 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.224 Cc1c(cccc1CN(C)C)I 269982a_100102631434_100010150147 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.224 Cc1c(cccc1CN(C)C)O 270004a_100102631434_100009868165 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.224 Cc1c(cccc1NC(C)C)Br 34a_100000750434_100000210206 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.224 Cc1c(cccc1NC(C)C)Cl 2230a_100000210441_100000210206 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.224 Cc1c(cccc1NC(C)C)Cl 34a_100000210441_100000210206 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.224 Cc1c(cccc1NC(C)C)Cl 7a_100000210441_100000210206 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.224 Cc1c(cccc1NC(C)C)F 34a_100000745574_100000210206 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.224 Cc1c(cccc1NC(C)C)F 7a_100000745574_100000210206 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.224 Cc1c(cccc1NC(C)C)I 34a_100000761887_100000210206 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.224 Cc1c(cccc1NC(C)C)O 34a_100011216573_100000210206 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.224 Cc1c(cccc1NC(C)C)O 7a_100011216573_100000210206 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.224 Cc1c(cccc1OC(C)C)Br 34a_100012002258_100000210206 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.224 Cc1c(cccc1OC(C)C)Br 7a_100012002258_100000210206 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.224 Cc1c(cccc1OC(C)C)Cl 34a_100011265684_100000210206 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.224 Cc1c(cccc1OC(C)C)Cl 7a_100011265684_100000210206 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.224 Cc1c(cccc1OC(C)C)F 34a_100011217231_100000210206 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.224 Cc1c(cccc1OC(C)C)F 7a_100011217231_100000210206 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.224 Cc1c(cccc1OC(C)C)N 34a_100011216573_100000210206 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.224 Cc1c(cccc1OC(C)C)N 7a_100011216573_100000210206 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.224 Cc1c(cccc1SC(C)C)Br 62a_100000210206_100012353703 [0,1,0,0,0,0|3,0,0]=4 1047 B12R1.224 Cc1c(cccc1SC(C)C)Br 62a_100012353703_100000210206 [0,1,0,0,0,0|3,0,0]=4 1048 B12R1.224 Cc1c(cccc1SC(C)C)Cl 62a_100000210206_100000726075 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.224 Cc1c(cccc1SC(C)C)Cl 62a_100000726075_100000210206 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.224 Cc1c(cccc1SC(C)C)F 62a_100000210206_100011216893 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.224 Cc1c(cccc1SC(C)C)F 62a_100011216893_100000210206 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.224 Cc1c(cccc1SC(C)C)N 62a_100000210206_100000761887 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.224 Cc1c(cccc1SC(C)C)N 62a_100000761887_100000210206 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.224 Cc1c(cccc1SC(C)C)O 62a_100000210206_100012002258 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.224 Cc1c(cccc1SC(C)C)O 62a_100012002258_100000210206 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.224 Cc1c(ccnc1CN(C)C)Cl 2230a_100102631434_100020614443 [0,1,0,0,0,0|2,0,0]=3 1057 B12R1.224 Cc1c(ccnc1CN(C)C)Cl 269982a_100102631434_100020614443 [0,1,0,0,0,0|2,0,0]=3 1058 B12R1.224 Cc1c(ccnc1NC(C)C)F 27a_100138425928_100009846374 [0,1,0,0,0,0|2,0,0]=3 1059 B12R1.224 Cc1c(ccnc1OC(C)C)Br 34a_100009858498_100000210206 [0,1,0,0,0,0|2,0,0]=3 1060 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100000210206_100009846374 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100009846374_100000210206 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000210206_100000690622 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000690622_100000210206 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.224 Cc1c(cnnc1SC(C)C)N 62a_100000210206_200011012966 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.224 Cc1c(cnnc1SC(C)C)N 62a_200011012966_100000210206 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.224 Cc1c(ncnc1NC(C)C)N 27a_100138425928_100011913465 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.224 Cc1c(ncnc1NC(C)C)O 27a_100138425928_100011912821 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.224 Cc1c(ncnc1OC(C)C)Cl 34a_100011912821_100000210206 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.224 Cc1c(ncnc1SC(C)C)N 62a_100000210206_100011913465 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.224 Cc1c(ncnc1SC(C)C)N 62a_100011913465_100000210206 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.224 Cc1c(ncnc1SC(C)C)O 62a_100000210206_100011912821 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100000207598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100102631434_100011515928 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100000207598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100102631434_100011515928 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.224 Cc1cccc(c1C)CN(C)C 270004a_100102631434_100000229941 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.224 Cc1cccc(c1C)CN(C)C 34a_100000207598_200000210301 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 2230a_100000207598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 269982a_100000207598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 34a_100000207598_200025704644 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.224 Cc1cccc(c1C)NC(C)C 2230a_100000210026_100000210206 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.224 Cc1cccc(c1C)NC(C)C 34a_100000210026_100000210206 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.224 Cc1cccc(c1C)NC(C)C 7a_100000210026_100000210206 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.224 Cc1cccc(c1C)OC(C)C 34a_100000185855_100000210206 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.224 Cc1cccc(c1C)OC(C)C 7a_100000185855_100000210206 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100000210206_100011214922 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100011214922_100000210206 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.224 Cc1ccnc(c1Br)OC(C)C 34a_100012000493_100000210206 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100000210206_100009847204 [0,1,0,0,0,0|2,0,0]=3 1090 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100009847204_100000210206 [0,1,0,0,0,0|2,0,0]=3 1091 B12R1.224 Cc1ccnc(c1F)SC(C)C 62a_100000210206_100009817629 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.224 Cc1ccnc(c1F)SC(C)C 62a_100009817629_100000210206 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.224 Cc1ccnc(c1N)SC(C)C 62a_100000210206_100000763560 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.224 Cc1ccnc(c1N)SC(C)C 62a_100000763560_100000210206 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.224 Cc1ccnc(c1O)SC(C)C 62a_100000210206_100000696282 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.224 Cc1ncnc(c1C)NC(C)C 27a_100138425928_100011438038 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.224 Cc1ncnc(c1C)OC(C)C 34a_100000697798_100000210206 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.224 Cc1ncnc(c1C)SC(C)C 62a_100000210206_100011438038 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.224 Cc1ncnc(c1C)SC(C)C 62a_100011438038_100000210206 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.233 CC(=Cc1ccc(nc1C)C)C 271570a_100102525489_100009813853 [0,1,0,0,0,0|1,0,2]=4 1101 B12R1.233 CC(=Cc1ccc(nc1C)Cl)C 271570a_100102525489_100000062408 [0,1,0,0,0,0|1,0,2]=4 1102 B12R1.233 CC(=Cc1ccc(nc1C)F)C 271570a_100102525489_100000688911 [0,1,0,0,0,0|1,0,2]=4 1103 B12R1.233 CC(=Cc1ccc(nc1C)N)C 271570a_100102525489_100000013003 [0,1,0,0,0,0|1,0,2]=4 1104 B12R1.233 CC(=Cc1ccc(nc1C)O)C 271570a_100102525489_100000691680 [0,1,0,0,0,0|1,0,2]=4 1105 B12R1.233 CC(=Cc1ncc(cc1C)Br)C 271570a_100102525489_100012353652 [0,1,0,0,0,0|1,0,2]=4 1106 B12R1.233 CC(=Cc1ncc(cc1C)C)C 271570a_100102525489_100009864548 [0,1,0,0,0,0|1,0,2]=4 1107 B12R1.233 CC(=Cc1ncc(cc1C)F)C 271570a_100102525489_100009817009 [0,1,0,0,0,0|1,0,2]=4 1108 B12R1.233 CC(=Cc1ncc(cc1C)N)C 271570a_100102525489_100000761747 [0,1,0,0,0,0|1,0,2]=4 1109 B12R1.233 CC(=Cc1ncc(cc1C)O)C 271570a_100102525489_100012000486 [0,1,0,0,0,0|1,0,2]=4 1110 B12R1.233 CC(=Cc1ncc(nc1C)C)C 271570a_100102525489_100000065684 [0,1,0,0,0,0|0,0,2]=3 1111 B12R1.233 CC(=Cc1ncc(nc1C)N)C 271570a_100102525489_100009818570 [0,1,0,0,0,0|0,0,2]=3 1112 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,1,0,0,0,0|2,0,1]=4 1113 B12R1.233 CC(C)Oc1ccc(nc1Br)Br 34a_100009999766_100000210206 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.233 CC(C)Oc1ccc(nc1Br)Br 7a_100009999766_100000210206 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.233 CC(C)Oc1ccc(nc1Br)Cl 34a_100010219353_100000210206 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.233 CC(C)Oc1ccc(nc1Br)Cl 7a_100010219353_100000210206 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.233 CC(C)Oc1ccc(nc1Br)F 34a_100009887730_100000210206 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.233 CC(C)Oc1ccc(nc1Br)F 7a_100009887730_100000210206 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.233 CC(C)Oc1ccc(nc1Br)I 34a_100000725334_100000210206 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.233 CC(C)Oc1ccc(nc1Br)I 7a_100000725334_100000210206 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.233 CC(C)Oc1ccc(nc1Cl)Br 34a_100010246206_100000210206 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.233 CC(C)Oc1ccc(nc1Cl)Br 7a_100010246206_100000210206 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.233 CC(C)Oc1ccc(nc1Cl)Cl 34a_100000101165_100000210206 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.233 CC(C)Oc1ccc(nc1Cl)Cl 7a_100000101165_100000210206 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.233 CC(C)Oc1ccc(nc1Cl)I 34a_100000721234_100000210206 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.233 CC(C)Oc1ccc(nc1Cl)I 7a_100000721234_100000210206 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.233 CC(C)Oc1ccc(nc1F)Br 34a_100009819667_100000210206 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.233 CC(C)Oc1ccc(nc1F)Br 7a_100009819667_100000210206 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.233 CC(C)Oc1ccc(nc1F)Cl 34a_100009880201_100000210206 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.233 CC(C)Oc1ccc(nc1F)Cl 7a_100009880201_100000210206 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.233 CC(C)Oc1ccc(nc1F)F 34a_100000101184_100000210206 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.233 CC(C)Oc1ccc(nc1F)F 7a_100000101184_100000210206 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.233 CC(C)Oc1ccc(nc1I)Br 34a_100010253912_100000210206 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.233 CC(C)Oc1ccc(nc1I)Br 7a_100010253912_100000210206 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.233 CC(C)Oc1ccc(nc1I)Cl 34a_100000696390_100000210206 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.233 CC(C)Oc1ccc(nc1I)Cl 7a_100000696390_100000210206 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.233 CC(C)Oc1ccc(nc1I)F 34a_100010382442_100000210206 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.233 CC(C)Oc1ccc(nc1I)F 7a_100010382442_100000210206 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.233 CC(C)Oc1ccc(nc1N)Br 34a_100000685527_100000210206 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.233 CC(C)Oc1ccc(nc1N)Br 7a_100000685527_100000210206 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.233 CC(C)Oc1ccc(nc1N)Cl 34a_100000717809_100000210206 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.233 CC(C)Oc1ccc(nc1N)Cl 7a_100000717809_100000210206 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.233 CC(C)Oc1ncc(cc1Br)Br 34a_100000701035_100000210206 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.233 CC(C)Oc1ncc(cc1Cl)Br 34a_100012339560_100000210206 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.233 CC(C)Oc1ncc(cc1Cl)F 34a_100009847679_100000210206 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.233 CC(C)Oc1ncc(cc1F)Cl 34a_100011998252_100000210206 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.233 CC(C)Oc1ncc(cc1F)F 34a_100012025737_100000210206 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.233 CC(C)Oc1ncc(cc1N)Br 34a_100000743729_100000210206 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.233 CC(C)Oc1ncc(cc1N)Cl 34a_100011998249_100000210206 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.233 CC(C)Oc1ncc(cc1O)Br 271570a_203496583355_200010177600 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.233 CC(C)Oc1ncc(nc1Cl)Br 34a_100010734560_100000210206 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.233 CC(C)Sc1ccc(nc1Br)N 62a_100000210206_100010734177 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.233 CC(C)Sc1ccc(nc1Br)N 62a_100010734177_100000210206 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.233 CC(C)Sc1ccc(nc1Cl)Br 62a_100000210206_100010246183 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.233 CC(C)Sc1ccc(nc1Cl)Br 62a_100010246183_100000210206 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.233 CC(C)Sc1ccc(nc1Cl)Cl 62a_100000210206_100000043682 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.233 CC(C)Sc1ccc(nc1Cl)N 62a_100000210206_100010270343 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.233 CC(C)Sc1ccc(nc1Cl)N 62a_100010270343_100000210206 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.233 CC(C)Sc1ccc(nc1F)Cl 62a_100000210206_100010168078 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.233 CC(C)Sc1ccc(nc1F)Cl 62a_100010168078_100000210206 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.233 CC(C)Sc1ccc(nc1F)F 62a_100000070099_100000210206 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.233 CC(C)Sc1ccc(nc1F)F 62a_100000210206_100000070099 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.233 CC(C)Sc1ccc(nc1F)N 62a_100000210206_100009882772 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.233 CC(C)Sc1ccc(nc1F)N 62a_100009882772_100000210206 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.233 CC(C)Sc1ccc(nc1F)O 62a_100000210206_100009879308 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.233 CC(C)Sc1ccc(nc1F)O 62a_100009879308_100000210206 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.233 CC(C)Sc1ccc(nc1N)Cl 62a_100000210206_100010171640 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.233 CC(C)Sc1ccc(nc1N)Cl 62a_100010171640_100000210206 [0,1,0,0,0,0|3,0,0]=4 1169 B12R1.233 CC(C)Sc1ccc(nc1N)F 62a_100000210206_100009854977 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.233 CC(C)Sc1ccc(nc1N)F 62a_100009854977_100000210206 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.233 CC(C)Sc1ccc(nc1N)N 62a_100011356871_100000210206 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100000210206_100012154958 [0,1,0,0,0,0|3,0,0]=4 1173 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100012154958_100000210206 [0,1,0,0,0,0|3,0,0]=4 1174 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100000210206_100012348576 [0,1,0,0,0,0|3,0,0]=4 1175 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100012348576_100000210206 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100000210206_100012348686 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100012348686_100000210206 [0,1,0,0,0,0|3,0,0]=4 1178 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100000210206_100011219543 [0,1,0,0,0,0|3,0,0]=4 1179 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100011219543_100000210206 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100000210206_100010280766 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100010280766_100000210206 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.233 CC(C)Sc1ncc(cc1F)O 62a_100000210206_100000063512 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100000210206_100010090555 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100010090555_100000210206 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100000210206_100009817643 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100009817643_100000210206 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_100000210206_200000093520 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_200000093520_100000210206 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100000210206_100010210634 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100010210634_100000210206 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100000210206_100010233512 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100010233512_100000210206 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100000210206_100000079967 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100009820119_100000210206 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.233 CC(C)Sc1ncc(nc1Br)Br 62a_100000210206_100010235571 [0,1,0,0,0,0|2,0,0]=3 1196 B12R1.233 CC(C)Sc1ncc(nc1Br)Br 62a_100010235571_100000210206 [0,1,0,0,0,0|2,0,0]=3 1197 B12R1.233 CC(C)Sc1ncc(nc1Cl)Cl 62a_100000210206_100010173851 [0,1,0,0,0,0|2,0,0]=3 1198 B12R1.233 CC(C)Sc1ncc(nc1Cl)N 62a_100000210206_100010116657 [0,1,0,0,0,0|2,0,0]=3 1199 B12R1.233 CC(C)Sc1ncc(nc1Cl)N 62a_100010116657_100000210206 [0,1,0,0,0,0|2,0,0]=3 1200 B12R1.233 CN(C)Cc1ccc(nc1Cl)Cl 2230a_100102631434_100000722033 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.233 CN(C)Cc1ccc(nc1Cl)Cl 269982a_100102631434_100000722033 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.233 CN(C)Cc1ncc(cc1Br)Br 270004a_100102631434_100000688198 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.233 CN(C)Cc1ncc(cc1Br)Cl 270004a_100102631434_100010064872 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.233 CN(C)Cc1ncc(cc1Cl)Br 270004a_100102631434_100009814801 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.233 CN(C)Cc1ncc(cc1Cl)Cl 270004a_100102631434_100011361609 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.233 CN(C)Cc1ncc(cc1F)Br 270004a_100102631434_100010180630 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.233 CN(C)Cc1ncc(cc1F)Cl 2230a_100102631434_200009879301 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.233 CN(C)Cc1ncc(cc1F)Cl 269982a_100102631434_200009879301 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.233 CN(C)Cc1ncc(cc1F)Cl 270004a_100102631434_100009858488 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.233 Cc1cc(=O)[nH]nc1SC(C)C 62a_100000210206_100000081757 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.233 Cc1cc(ccc1CN(C)C)Br 2230a_100102631434_100000708836 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.233 Cc1cc(ccc1CN(C)C)Br 269982a_100102631434_100000708836 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.233 Cc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000687586 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 2230a_100102631434_100012361307 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 269982a_100102631434_100012361307 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000766358 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.233 Cc1cc(ccc1CN(C)C)F 2230a_100102631434_100000700533 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.233 Cc1cc(ccc1CN(C)C)F 269982a_100102631434_100000700533 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.233 Cc1cc(ccc1CN(C)C)F 270004a_100102631434_100000745986 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.233 Cc1cc(ccc1NC(C)C)Br 34a_100000211769_100000210206 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.233 Cc1cc(ccc1NC(C)C)Br 7a_100000211769_100000210206 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 34a_100000210418_100000210206 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 7a_100000210418_100000210206 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.233 Cc1cc(ccc1NC(C)C)F 34a_100000211637_100000210206 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.233 Cc1cc(ccc1NC(C)C)F 7a_100000211637_100000210206 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.233 Cc1cc(ccc1NC(C)C)I 34a_100000184554_100000210206 [0,1,0,0,0,0|3,0,0]=4 1227 B12R1.233 Cc1cc(ccc1NC(C)C)I 7a_100000184554_100000210206 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.233 Cc1cc(ccc1NC(C)C)O 34a_100000756630_100000210206 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.233 Cc1cc(ccc1OC(C)C)Br 34a_100000186361_100000210206 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.233 Cc1cc(ccc1OC(C)C)Br 7a_100000186361_100000210206 [0,1,0,0,0,0|3,0,0]=4 1231 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 34a_100000211091_100000210206 [0,1,0,0,0,0|3,0,0]=4 1232 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 7a_100000211091_100000210206 [0,1,0,0,0,0|3,0,0]=4 1233 B12R1.233 Cc1cc(ccc1OC(C)C)F 34a_100000764316_100000210206 [0,1,0,0,0,0|3,0,0]=4 1234 B12R1.233 Cc1cc(ccc1OC(C)C)F 7a_100000764316_100000210206 [0,1,0,0,0,0|3,0,0]=4 1235 B12R1.233 Cc1cc(ccc1OC(C)C)I 34a_100011218673_100000210206 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.233 Cc1cc(ccc1OC(C)C)I 7a_100011218673_100000210206 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.233 Cc1cc(ccc1OC(C)C)N 34a_100011218179_100000210206 [0,1,0,0,0,0|3,0,0]=4 1238 B12R1.233 Cc1cc(ccc1OC(C)C)N 7a_100011218179_100000210206 [0,1,0,0,0,0|3,0,0]=4 1239 B12R1.233 Cc1cc(ccc1OC(C)C)O 271570a_203496583355_200011825982 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000210206_100000701812 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000701812_100000210206 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100000210206_100011219607 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100011219607_100000210206 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100000210206_100011205405 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100011205405_100000210206 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210206_100000210723 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210723_100000210206 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.233 Cc1cc(ccc1SC(C)C)O 62a_100000210206_100000690111 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.233 Cc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010185443 [0,1,0,0,0,0|2,0,0]=3 1250 B12R1.233 Cc1cc(cnc1CN(C)C)Cl 270004a_100102631434_200009887756 [0,1,0,0,0,0|2,0,0]=3 1251 B12R1.233 Cc1cc(cnc1OC(C)C)Br 34a_100000685391_100000210206 [0,1,0,0,0,0|2,0,0]=3 1252 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100000210206_100012353652 [0,1,0,0,0,0|2,0,0]=3 1253 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100012353652_100000210206 [0,1,0,0,0,0|2,0,0]=3 1254 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100000210206_100009817009 [0,1,0,0,0,0|2,0,0]=3 1255 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100009817009_100000210206 [0,1,0,0,0,0|2,0,0]=3 1256 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000210206_100000761747 [0,1,0,0,0,0|2,0,0]=3 1257 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000761747_100000210206 [0,1,0,0,0,0|2,0,0]=3 1258 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100000210206_100012000486 [0,1,0,0,0,0|2,0,0]=3 1259 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100012000486_100000210206 [0,1,0,0,0,0|2,0,0]=3 1260 B12R1.233 Cc1cc(nnc1SC(C)C)N 62a_100000123434_100000210206 [0,1,0,0,0,0|3,0,0]=4 1261 B12R1.233 Cc1cc(nnc1SC(C)C)N 62a_100000210206_100000123434 [0,1,0,0,0,0|3,0,0]=4 1262 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100025771030_200000210301 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100102631434_100011219618 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100025771030_200000210301 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100102631434_100011219618 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100000211342 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 34a_100025771030_200000210301 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 2230a_100025771030_200025704644 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 269982a_100025771030_200025704644 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 34a_100025771030_200025704644 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 34a_100000736561_100000210206 [0,1,0,0,0,0|3,0,0]=4 1272 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 7a_100000736561_100000210206 [0,1,0,0,0,0|3,0,0]=4 1273 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 34a_100000211776_100000210206 [0,1,0,0,0,0|3,0,0]=4 1274 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 7a_100000211776_100000210206 [0,1,0,0,0,0|3,0,0]=4 1275 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100000210206_100011217332 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100011217332_100000210206 [0,1,0,0,0,0|3,0,0]=4 1277 B12R1.233 Cc1ccc(c(n1)Br)CN(C)C 2230a_100102631434_200010064658 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.233 Cc1ccc(c(n1)Br)CN(C)C 269982a_100102631434_200010064658 [0,1,0,0,0,0|3,0,0]=4 1279 B12R1.233 Cc1ccc(c(n1)Br)OC(C)C 34a_100000702858_100000210206 [0,1,0,0,0,0|3,0,0]=4 1280 B12R1.233 Cc1ccc(c(n1)Br)OC(C)C 7a_100000702858_100000210206 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.233 Cc1ccc(c(n1)C)CN(C)C 270004a_100102631434_100011794427 [0,1,0,0,0,0|2,0,0]=3 1282 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 34a_100011218912_100000210206 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 7a_100011218912_100000210206 [0,1,0,0,0,0|2,0,0]=3 1284 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100000210206_100009813853 [0,1,0,0,0,0|2,0,0]=3 1285 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100009813853_100000210206 [0,1,0,0,0,0|2,0,0]=3 1286 B12R1.233 Cc1ccc(c(n1)Cl)OC(C)C 34a_100000086286_100000210206 [0,1,0,0,0,0|3,0,0]=4 1287 B12R1.233 Cc1ccc(c(n1)Cl)OC(C)C 7a_100000086286_100000210206 [0,1,0,0,0,0|3,0,0]=4 1288 B12R1.233 Cc1ccc(c(n1)F)OC(C)C 34a_100000079963_100000210206 [0,1,0,0,0,0|3,0,0]=4 1289 B12R1.233 Cc1ccc(c(n1)F)OC(C)C 7a_100000079963_100000210206 [0,1,0,0,0,0|3,0,0]=4 1290 B12R1.233 Cc1ccc(c(n1)F)SC(C)C 62a_100000210206_100010006597 [0,1,0,0,0,0|3,0,0]=4 1291 B12R1.233 Cc1ccc(c(n1)F)SC(C)C 62a_100010006597_100000210206 [0,1,0,0,0,0|3,0,0]=4 1292 B12R1.233 Cc1ccc(c(n1)I)OC(C)C 34a_100000023897_100000210206 [0,1,0,0,0,0|3,0,0]=4 1293 B12R1.233 Cc1ccc(c(n1)I)OC(C)C 7a_100000023897_100000210206 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.233 Cc1ccc(c(n1)N)OC(C)C 34a_100000694039_100000210206 [0,1,0,0,0,0|3,0,0]=4 1295 B12R1.233 Cc1ccc(c(n1)N)OC(C)C 7a_100000694039_100000210206 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.233 Cc1ccc(c(n1)N)SC(C)C 62a_100000210206_100009816662 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.233 Cc1ccc(c(n1)N)SC(C)C 62a_100009816662_100000210206 [0,1,0,0,0,0|3,0,0]=4 1298 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100000210206_100009817604 [0,1,0,0,0,0|3,0,0]=4 1299 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100009817604_100000210206 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.233 Cc1cnc(c(c1)Br)OC(C)C 34a_100000719714_100000210206 [0,1,0,0,0,0|3,0,0]=4 1301 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 2230a_100102631434_100016990036 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.233 Cc1cnc(c(c1)C)CN(C)C 269982a_100102631434_100016990036 [0,1,0,0,0,0|2,0,0]=3 1303 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100000210206_100009864548 [0,1,0,0,0,0|2,0,0]=3 1304 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100009864548_100000210206 [0,1,0,0,0,0|2,0,0]=3 1305 B12R1.233 Cc1cnc(c(c1)F)CN(C)C 270004a_100102631434_100009845184 [0,1,0,0,0,0|3,0,0]=4 1306 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100000210206_100009819633 [0,1,0,0,0,0|3,0,0]=4 1307 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100009819633_100000210206 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.233 Cc1cnc(c(c1)N)OC(C)C 34a_100012000488_100000210206 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000210206_100000733613 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000733613_100000210206 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.233 Cc1cnc(c(c1)O)OC(C)C 271570a_203496583355_200012348018 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.233 Cc1cnc(c(c1)O)SC(C)C 62a_100000210206_100012000487 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000065684_100000210206 [0,1,0,0,0,0|1,0,0]=2 1314 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000210206_100000065684 [0,1,0,0,0,0|1,0,0]=2 1315 B12R1.233 Cc1nc(ccc1OC(C)C)Br 34a_100012002022_100000210206 [0,1,0,0,0,0|2,0,0]=3 1316 B12R1.233 Cc1nc(ccc1OC(C)C)Br 7a_100012002022_100000210206 [0,1,0,0,0,0|2,0,0]=3 1317 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 34a_100012184626_100000210206 [0,1,0,0,0,0|2,0,0]=3 1318 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 7a_100012184626_100000210206 [0,1,0,0,0,0|2,0,0]=3 1319 B12R1.233 Cc1nc(ccc1OC(C)C)F 34a_100009881036_100000210206 [0,1,0,0,0,0|2,0,0]=3 1320 B12R1.233 Cc1nc(ccc1OC(C)C)F 7a_100009881036_100000210206 [0,1,0,0,0,0|2,0,0]=3 1321 B12R1.233 Cc1nc(ccc1OC(C)C)I 34a_100010233687_100000210206 [0,1,0,0,0,0|2,0,0]=3 1322 B12R1.233 Cc1nc(ccc1OC(C)C)I 7a_100010233687_100000210206 [0,1,0,0,0,0|2,0,0]=3 1323 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000062408_100000210206 [0,1,0,0,0,0|2,0,0]=3 1324 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000210206_100000062408 [0,1,0,0,0,0|2,0,0]=3 1325 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000210206_100000688911 [0,1,0,0,0,0|2,0,0]=3 1326 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000688911_100000210206 [0,1,0,0,0,0|2,0,0]=3 1327 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000187202_100000210206 [0,1,0,0,0,0|2,0,0]=3 1328 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000210206_100000187202 [0,1,0,0,0,0|2,0,0]=3 1329 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000210206_100000691680 [0,1,0,0,0,0|2,0,0]=3 1330 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000691680_100000210206 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100000210206_100009818570 [0,1,0,0,0,0|1,0,0]=2 1332 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100009818570_100000210206 [0,1,0,0,0,0|1,0,0]=2 1333 B12R1.233 Cc1nc(ncc1SC(C)C)N 62a_100000210206_100000725598 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.233 Cc1nc(ncc1SC(C)C)N 62a_100000725598_100000210206 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.233 Cc1ncc(c(n1)C)OC(C)C 34a_100009864123_100000210206 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.233 Cc1ncc(c(n1)C)OC(C)C 7a_100009864123_100000210206 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.371 C#CC(C)Nc1nccnc1C 27a_100000707721_100011999405 [0,1,0,0,0,0|1,0,1]=3 1338 B12R1.371 C#CC(C)Nc1nccnc1F 27a_100000707721_200010125657 [0,1,0,0,0,0|2,0,1]=4 1339 B12R1.371 C#CC(C)Oc1cccnc1C 34a_100000745507_200000035995 [0,1,0,0,0,0|2,0,1]=4 1340 B12R1.371 C#CC(C)Oc1nccnc1C 34a_100000766352_200000035995 [0,1,0,0,0,0|1,0,1]=3 1341 B12R1.371 C#CC(C)Sc1cccnc1C 62a_200000035995_100000751574 [0,1,0,0,0,0|2,0,1]=4 1342 B12R1.371 C#CC(C)Sc1ncccc1C 62a_200000035995_100000751373 [0,1,0,0,0,0|2,0,1]=4 1343 B12R1.371 C#CC(C)Sc1nccnc1C 62a_200000035995_100011999405 [0,1,0,0,0,0|1,0,1]=3 1344 B12R1.371 C#CC(C)Sc1nccnc1Cl 62a_200000035995_100010886584 [0,1,0,0,0,0|2,0,1]=4 1345 B12R1.371 C#CC(C)Sc1nccnc1F 62a_200000035995_200010125657 [0,1,0,0,0,0|2,0,1]=4 1346 B12R1.371 C#CC(C)Sc1nccnc1N 62a_200000035995_100000747729 [0,1,0,0,0,0|2,0,1]=4 1347 B12R1.371 C=CC(C)Sc1cccnc1C 62a_100011215867_100000751574 [0,1,0,0,0,0|2,0,1]=4 1348 B12R1.371 C=CC(C)Sc1ncccc1C 62a_100011215867_100000751373 [0,1,0,0,0,0|2,0,1]=4 1349 B12R1.371 C=CC(C)Sc1nccnc1C 62a_100011215867_100011999405 [0,1,0,0,0,0|1,0,1]=3 1350 B12R1.371 C=CC(C)Sc1nccnc1Cl 62a_100011215867_100010886584 [0,1,0,0,0,0|2,0,1]=4 1351 B12R1.371 C=CC(C)Sc1nccnc1F 62a_100011215867_200010125657 [0,1,0,0,0,0|2,0,1]=4 1352 B12R1.371 C=CC(C)Sc1nccnc1N 62a_100011215867_100000747729 [0,1,0,0,0,0|2,0,1]=4 1353 B12R1.371 CC(C#N)Sc1nccnc1Cl 62a_100000703298_100010886584 [0,1,0,0,0,0|2,0,1]=4 1354 B12R1.371 CC(C#N)Sc1nccnc1Cl 62a_100010886584_100000703298 [0,1,0,0,0,0|2,0,1]=4 1355 B12R1.371 CC(C#N)Sc1nccnc1F 62a_100000703298_200010125657 [0,1,0,0,0,0|2,0,1]=4 1356 B12R1.371 CC(C#N)Sc1nccnc1F 62a_200010125657_100000703298 [0,1,0,0,0,0|2,0,1]=4 1357 B12R1.371 CC(C#N)Sc1nccnc1N 62a_100000703298_100000747729 [0,1,0,0,0,0|2,0,1]=4 1358 B12R1.371 CC(C#N)Sc1nccnc1N 62a_100000747729_100000703298 [0,1,0,0,0,0|2,0,1]=4 1359 B12R1.371 CC(CO)Oc1cccnc1Br 34a_100000744436_100012180447 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.371 CC(CO)Oc1cccnc1Br 7a_100000744436_100012180447 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.371 CC(CO)Oc1cccnc1Cl 34a_100000757616_100012180447 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.371 CC(CO)Oc1cccnc1Cl 7a_100000757616_100012180447 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.371 CC(CO)Oc1cccnc1F 34a_100000061740_100012180447 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.371 CC(CO)Oc1cccnc1F 7a_100000061740_100012180447 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.371 CC(CO)Oc1cccnc1I 34a_100000034122_100012180447 [0,1,0,0,0,0|3,0,0]=4 1366 B12R1.371 CC(CO)Oc1cccnc1I 7a_100000034122_100012180447 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.371 CC(CO)Oc1cccnc1N 34a_100000211975_100012180447 [0,1,0,0,0,0|3,0,0]=4 1368 B12R1.371 CC(CO)Oc1cccnc1N 7a_100000211975_100012180447 [0,1,0,0,0,0|3,0,0]=4 1369 B12R1.371 CC(CO)Oc1ncccc1Cl 34a_100011290957_100012180447 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.371 CC(CO)Oc1ncccc1F 34a_100011219419_100012180447 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.371 CC(CO)Oc1ncccc1N 34a_100000746358_100012180447 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.371 CC(CO)Sc1cccnc1Br 62a_100012180447_100010202626 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.371 CC(CO)Sc1cccnc1Cl 62a_100012180447_100000036424 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.371 CC(CO)Sc1cccnc1F 62a_100012180447_100009816115 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.371 CC(CO)Sc1cccnc1N 62a_100012180447_100000045569 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.371 CC(CO)Sc1cccnc1O 62a_100012180447_100000760158 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.371 CC(CO)Sc1ncc[nH]c1=O 62a_100012180447_100000763361 [0,1,0,0,0,0|2,0,1]=4 1378 B12R1.371 CC(CO)Sc1ncccc1Br 62a_100012180447_100000696092 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.371 CC(CO)Sc1ncccc1Cl 62a_100012180447_100011356963 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.371 CC(CO)Sc1ncccc1F 62a_100012180447_100000685392 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.371 CC(CO)Sc1ncccc1N 62a_100012180447_100000688686 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.371 CC(CO)Sc1nccnc1Cl 62a_100012180447_100010886584 [0,1,0,0,0,0|2,0,0]=3 1384 B12R1.371 CC(CO)Sc1nccnc1F 62a_100012180447_200010125657 [0,1,0,0,0,0|2,0,0]=3 1385 B12R1.371 CC(CO)Sc1nccnc1N 62a_100012180447_100000747729 [0,1,0,0,0,0|2,0,0]=3 1386 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,0|2,0,1]=4 1387 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,0|2,0,1]=4 1388 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,0|2,0,1]=4 1389 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,0|3,0,0]=4 1390 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,0,0,0,0|3,0,0]=4 1392 B12R1.371 CCC(C)Oc1cccnc1Br 34a_100000744436_100011215416 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.371 CCC(C)Oc1cccnc1Br 7a_100000744436_100000758301 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.371 CCC(C)Oc1cccnc1C 34a_100000745507_100011215416 [0,1,0,0,0,0|2,0,0]=3 1395 B12R1.371 CCC(C)Oc1cccnc1C 7a_100000745507_100000758301 [0,1,0,0,0,0|2,0,0]=3 1396 B12R1.371 CCC(C)Oc1cccnc1Cl 34a_100000757616_100011215416 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.371 CCC(C)Oc1cccnc1Cl 7a_100000757616_100000758301 [0,1,0,0,0,0|3,0,0]=4 1398 B12R1.371 CCC(C)Oc1cccnc1F 34a_100000061740_100011215416 [0,1,0,0,0,0|3,0,0]=4 1399 B12R1.371 CCC(C)Oc1cccnc1F 7a_100000061740_100000758301 [0,1,0,0,0,0|3,0,0]=4 1400 B12R1.371 CCC(C)Oc1cccnc1I 34a_100000034122_100011215416 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.371 CCC(C)Oc1cccnc1I 7a_100000034122_100000758301 [0,1,0,0,0,0|3,0,0]=4 1402 B12R1.371 CCC(C)Oc1cccnc1N 34a_100000211975_100011215416 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.371 CCC(C)Oc1cccnc1N 7a_100000211975_100000758301 [0,1,0,0,0,0|3,0,0]=4 1404 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,1,0,0,0,0|3,0,0]=4 1405 B12R1.371 CCC(C)Oc1ncccc1F 34a_100011219419_100011215416 [0,1,0,0,0,0|3,0,0]=4 1406 B12R1.371 CCC(C)Oc1ncccc1N 34a_100000746358_100011215416 [0,1,0,0,0,0|3,0,0]=4 1407 B12R1.371 CCC(C)Oc1nccnc1C 34a_100000766352_100011215416 [0,1,0,0,0,0|1,0,0]=2 1408 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,1,0,0,0,0|3,0,0]=4 1409 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,1,0,0,0,0|3,0,0]=4 1410 B12R1.371 CCC(C)Sc1cccnc1Br 62a_100000758301_100010202626 [0,1,0,0,0,0|3,0,0]=4 1411 B12R1.371 CCC(C)Sc1cccnc1Br 62a_100010202626_100000758301 [0,1,0,0,0,0|3,0,0]=4 1412 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000751574_100000758301 [0,1,0,0,0,0|2,0,0]=3 1413 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000758301_100000751574 [0,1,0,0,0,0|2,0,0]=3 1414 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000036424_100000758301 [0,1,0,0,0,0|3,0,0]=4 1415 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000758301_100000036424 [0,1,0,0,0,0|3,0,0]=4 1416 B12R1.371 CCC(C)Sc1cccnc1F 62a_100000758301_100009816115 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.371 CCC(C)Sc1cccnc1F 62a_100009816115_100000758301 [0,1,0,0,0,0|3,0,0]=4 1418 B12R1.371 CCC(C)Sc1cccnc1N 62a_100000045569_100000758301 [0,1,0,0,0,0|3,0,0]=4 1419 B12R1.371 CCC(C)Sc1cccnc1N 62a_100000758301_100000045569 [0,1,0,0,0,0|3,0,0]=4 1420 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000758301_100000760158 [0,1,0,0,0,0|3,0,0]=4 1421 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000760158_100000758301 [0,1,0,0,0,0|3,0,0]=4 1422 B12R1.371 CCC(C)Sc1cncnc1C 62a_100000758301_100009819671 [0,1,0,0,0,0|3,0,0]=4 1423 B12R1.371 CCC(C)Sc1cncnc1C 62a_100009819671_100000758301 [0,1,0,0,0,0|3,0,0]=4 1424 B12R1.371 CCC(C)Sc1ncc[nH]c1=O 62a_100000758301_100000763361 [0,1,0,0,0,0|2,0,1]=4 1425 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000696092_100000758301 [0,1,0,0,0,0|3,0,0]=4 1426 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000758301_100000696092 [0,1,0,0,0,0|3,0,0]=4 1427 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000751373_100000758301 [0,1,0,0,0,0|2,0,0]=3 1428 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000758301_100000751373 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100000758301_100011356963 [0,1,0,0,0,0|3,0,0]=4 1430 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100011356963_100000758301 [0,1,0,0,0,0|3,0,0]=4 1431 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000685392_100000758301 [0,1,0,0,0,0|3,0,0]=4 1432 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000758301_100000685392 [0,1,0,0,0,0|3,0,0]=4 1433 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000688686_100000758301 [0,1,0,0,0,0|3,0,0]=4 1434 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000758301_100000688686 [0,1,0,0,0,0|3,0,0]=4 1435 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000034122_100000758301 [0,1,0,0,0,0|3,0,0]=4 1436 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000758301_100000034122 [0,1,0,0,0,0|3,0,0]=4 1437 B12R1.371 CCC(C)Sc1nccnc1C 62a_100000758301_100011999405 [0,1,0,0,0,0|1,0,0]=2 1438 B12R1.371 CCC(C)Sc1nccnc1C 62a_100011999405_100000758301 [0,1,0,0,0,0|1,0,0]=2 1439 B12R1.371 CCC(C)Sc1nccnc1Cl 62a_100000758301_100010886584 [0,1,0,0,0,0|2,0,0]=3 1440 B12R1.371 CCC(C)Sc1nccnc1Cl 62a_100010886584_100000758301 [0,1,0,0,0,0|2,0,0]=3 1441 B12R1.371 CCC(C)Sc1nccnc1F 62a_100000758301_200010125657 [0,1,0,0,0,0|2,0,0]=3 1442 B12R1.371 CCC(C)Sc1nccnc1F 62a_200010125657_100000758301 [0,1,0,0,0,0|2,0,0]=3 1443 B12R1.371 CCC(C)Sc1nccnc1N 62a_100000747729_100000758301 [0,1,0,0,0,0|2,0,0]=3 1444 B12R1.371 CCC(C)Sc1nccnc1N 62a_100000758301_100000747729 [0,1,0,0,0,0|2,0,0]=3 1445 B12R1.371 CCC(C)Sc1ncncc1C 62a_100000758301_100011998708 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.371 CCC(C)Sc1ncncc1C 62a_100011998708_100000758301 [0,1,0,0,0,0|3,0,0]=4 1447 B12R1.371 CCC(C)Sc1nnccc1C 62a_100000758301_100000089043 [0,1,0,0,0,0|3,0,0]=4 1448 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.371 CCN(C)Cc1cccnc1Br 2230a_100000225621_100010140945 [0,1,0,0,0,0|3,0,0]=4 1455 B12R1.371 CCN(C)Cc1cccnc1Br 269982a_100000225621_100010140945 [0,1,0,0,0,0|3,0,0]=4 1456 B12R1.371 CCN(C)Cc1cccnc1C 2230a_100000225621_100000732876 [0,1,0,0,0,0|2,0,0]=3 1457 B12R1.371 CCN(C)Cc1cccnc1C 2230a_200011875998_100000210202 [0,1,0,0,0,0|2,0,0]=3 1458 B12R1.371 CCN(C)Cc1cccnc1C 269982a_100000225621_100000732876 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.371 CCN(C)Cc1cccnc1C 269982a_200011875998_100000204670 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.371 CCN(C)Cc1cccnc1Cl 2230a_100000225621_100000045678 [0,1,0,0,0,0|3,0,0]=4 1461 B12R1.371 CCN(C)Cc1cccnc1Cl 2230a_103496529121_100000210202 [0,1,0,0,0,0|3,0,0]=4 1462 B12R1.371 CCN(C)Cc1cccnc1Cl 269982a_100000225621_100000045678 [0,1,0,0,0,0|3,0,0]=4 1463 B12R1.371 CCN(C)Cc1cccnc1Cl 269982a_103496529121_100000204670 [0,1,0,0,0,0|3,0,0]=4 1464 B12R1.371 CCN(C)Cc1cccnc1F 2230a_100000225621_100000099810 [0,1,0,0,0,0|3,0,0]=4 1465 B12R1.371 CCN(C)Cc1cccnc1F 269982a_100000225621_100000099810 [0,1,0,0,0,0|3,0,0]=4 1466 B12R1.371 CCN(C)Cc1ncccc1Br 2230a_100000225621_100025702911 [0,1,0,0,0,0|3,0,0]=4 1467 B12R1.371 CCN(C)Cc1ncccc1C 2230a_100000225621_100000696600 [0,1,0,0,0,0|2,0,0]=3 1468 B12R1.371 CCN(C)Cc1ncccc1C 269982a_100000225621_100000696600 [0,1,0,0,0,0|2,0,0]=3 1469 B12R1.371 CCN(C)Cc1ncccc1Cl 2230a_100000225621_100000099807 [0,1,0,0,0,0|3,0,0]=4 1470 B12R1.371 CCN(C)Cc1ncccc1Cl 269982a_100000225621_100000099807 [0,1,0,0,0,0|3,0,0]=4 1471 B12R1.371 CCN(C)Cc1ncccc1F 2230a_100000225621_100000104219 [0,1,0,0,0,0|3,0,0]=4 1472 B12R1.371 CCN(C)Cc1ncccc1F 269982a_100000225621_100000104219 [0,1,0,0,0,0|3,0,0]=4 1473 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1474 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1475 B12R1.371 CN(CF)Cc1cccnc1Cl 269982a_103496529121_100015361967 [0,1,0,0,0,0|3,0,0]=4 1476 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,0|2,0,1]=4 1477 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,0|2,0,1]=4 1478 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,0|2,0,1]=4 1479 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,0|3,0,0]=4 1480 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,0|2,0,0]=3 1481 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,0|3,0,0]=4 1483 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,1,0,0,0,0|1,0,0]=2 1484 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.371 COC(C)Sc1cccnc1Br 62a_100009879195_100010202626 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.371 COC(C)Sc1cccnc1Br 62a_100010202626_100009879195 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.371 COC(C)Sc1cccnc1C 62a_100000751574_100009879195 [0,1,0,0,0,0|2,0,0]=3 1489 B12R1.371 COC(C)Sc1cccnc1C 62a_100009879195_100000751574 [0,1,0,0,0,0|2,0,0]=3 1490 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100000036424_100009879195 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100009879195_100000036424 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.371 COC(C)Sc1cccnc1F 62a_100009816115_100009879195 [0,1,0,0,0,0|3,0,0]=4 1493 B12R1.371 COC(C)Sc1cccnc1F 62a_100009879195_100009816115 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.371 COC(C)Sc1cccnc1N 62a_100000045569_100009879195 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.371 COC(C)Sc1cccnc1N 62a_100009879195_100000045569 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.371 COC(C)Sc1cccnc1O 62a_100000760158_100009879195 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.371 COC(C)Sc1cccnc1O 62a_100009879195_100000760158 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.371 COC(C)Sc1cncnc1C 62a_100009819671_100009879195 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.371 COC(C)Sc1cncnc1C 62a_100009879195_100009819671 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.371 COC(C)Sc1ncc[nH]c1=O 62a_100009879195_100000763361 [0,1,0,0,0,0|2,0,1]=4 1501 B12R1.371 COC(C)Sc1ncccc1Br 62a_100000696092_100009879195 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.371 COC(C)Sc1ncccc1Br 62a_100009879195_100000696092 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [0,1,0,0,0,0|3,0,0]=4 1506 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.371 COC(C)Sc1ncccc1F 62a_100000685392_100009879195 [0,1,0,0,0,0|3,0,0]=4 1508 B12R1.371 COC(C)Sc1ncccc1F 62a_100009879195_100000685392 [0,1,0,0,0,0|3,0,0]=4 1509 B12R1.371 COC(C)Sc1ncccc1N 62a_100000688686_100009879195 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.371 COC(C)Sc1ncccc1N 62a_100009879195_100000688686 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.371 COC(C)Sc1nccnc1C 62a_100009879195_100011999405 [0,1,0,0,0,0|1,0,0]=2 1514 B12R1.371 COC(C)Sc1nccnc1C 62a_100011999405_100009879195 [0,1,0,0,0,0|1,0,0]=2 1515 B12R1.371 COC(C)Sc1nccnc1Cl 62a_100009879195_100010886584 [0,1,0,0,0,0|2,0,0]=3 1516 B12R1.371 COC(C)Sc1nccnc1Cl 62a_100010886584_100009879195 [0,1,0,0,0,0|2,0,0]=3 1517 B12R1.371 COC(C)Sc1nccnc1F 62a_100009879195_200010125657 [0,1,0,0,0,0|2,0,0]=3 1518 B12R1.371 COC(C)Sc1nccnc1F 62a_200010125657_100009879195 [0,1,0,0,0,0|2,0,0]=3 1519 B12R1.371 COC(C)Sc1nccnc1N 62a_100000747729_100009879195 [0,1,0,0,0,0|2,0,0]=3 1520 B12R1.371 COC(C)Sc1nccnc1N 62a_100009879195_100000747729 [0,1,0,0,0,0|2,0,0]=3 1521 B12R1.371 COC(C)Sc1ncncc1C 62a_100009879195_100011998708 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.371 COC(C)Sc1ncncc1C 62a_100011998708_100009879195 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.371 COC(C)Sc1nnccc1C 62a_100009879195_100000089043 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.371 C[C@H](CF)Nc1ncccc1Br 27a_100102880703_100000696092 [0,1,0,0,0,0|3,0,0]=4 1525 B12R1.371 C[C@H](CF)Nc1nccnc1F 27a_100102880703_200010125657 [0,1,0,0,0,0|2,0,0]=3 1526 B12R1.371 C[C@H](CO)Nc1ncccc1Br 27a_100000737577_100000696092 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.371 C[C@H](CO)Nc1nccnc1F 27a_100000737577_200010125657 [0,1,0,0,0,0|2,0,0]=3 1528 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100010202626_100016084084 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100016084084_100010202626 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100000036424_100016084084 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100016084084_100000036424 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100009816115_100016084084 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100016084084_100009816115 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100000045569_100016084084 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100016084084_100000045569 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100000760158_100016084084 [0,1,0,0,0,0|3,0,0]=4 1537 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100016084084_100000760158 [0,1,0,0,0,0|3,0,0]=4 1538 B12R1.371 C[C@H](CO)Sc1ncc[nH]c1=O 62a_100016084084_100000763361 [0,1,0,0,0,0|2,0,1]=4 1539 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100000696092_100016084084 [0,1,0,0,0,0|3,0,0]=4 1540 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100016084084_100000696092 [0,1,0,0,0,0|3,0,0]=4 1541 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100011356963_100016084084 [0,1,0,0,0,0|3,0,0]=4 1542 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100016084084_100011356963 [0,1,0,0,0,0|3,0,0]=4 1543 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100000685392_100016084084 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100016084084_100000685392 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100000688686_100016084084 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100016084084_100000688686 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.371 C[C@H](CO)Sc1nccnc1Cl 62a_100010886584_100016084084 [0,1,0,0,0,0|2,0,0]=3 1550 B12R1.371 C[C@H](CO)Sc1nccnc1Cl 62a_100016084084_100010886584 [0,1,0,0,0,0|2,0,0]=3 1551 B12R1.371 C[C@H](CO)Sc1nccnc1F 62a_100016084084_200010125657 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.371 C[C@H](CO)Sc1nccnc1F 62a_200010125657_100016084084 [0,1,0,0,0,0|2,0,0]=3 1553 B12R1.371 C[C@H](CO)Sc1nccnc1N 62a_100000747729_100016084084 [0,1,0,0,0,0|2,0,0]=3 1554 B12R1.371 C[C@H](CO)Sc1nccnc1N 62a_100016084084_100000747729 [0,1,0,0,0,0|2,0,0]=3 1555 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,1,0,0,0,0|3,0,0]=4 1560 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,1,0,0,0,0|2,0,1]=4 1563 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,0|2,0,1]=4 1564 B12R1.371 Cc1cccnc1SC(C)C#N 62a_100000703298_100000751373 [0,1,0,0,0,0|2,0,1]=4 1565 B12R1.371 Cc1cccnc1SC(C)C#N 62a_100000751373_100000703298 [0,1,0,0,0,0|2,0,1]=4 1566 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [0,1,0,0,0,0|2,0,0]=3 1567 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [0,1,0,0,0,0|2,0,0]=3 1568 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [0,1,0,0,0,0|2,0,0]=3 1569 B12R1.371 Cc1ccnnc1N[C@H](C)CF 27a_100102880703_100000089043 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.371 Cc1ccnnc1N[C@H](C)CO 27a_100000737577_100000089043 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.371 Cc1ccnnc1SC(C)CO 62a_100012180447_100000089043 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.371 Cc1ccnnc1S[C@H](C)CO 62a_100016084084_100000089043 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.371 Cc1cncnc1N[C@H](C)CF 27a_100102880703_100011998708 [0,1,0,0,0,0|3,0,0]=4 1574 B12R1.371 Cc1cncnc1N[C@H](C)CO 27a_100000737577_100011998708 [0,1,0,0,0,0|3,0,0]=4 1575 B12R1.371 Cc1cncnc1SC(C)CO 62a_100012180447_100011998708 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.371 Cc1cncnc1S[C@H](C)CO 62a_100011998708_100016084084 [0,1,0,0,0,0|3,0,0]=4 1577 B12R1.371 Cc1cncnc1S[C@H](C)CO 62a_100016084084_100011998708 [0,1,0,0,0,0|3,0,0]=4 1578 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,0|2,0,1]=4 1579 B12R1.371 Cc1ncccc1CN(C)CF 269982a_200011875998_100015361967 [0,1,0,0,0,0|2,0,0]=3 1580 B12R1.371 Cc1ncccc1OC(C)C#N 7a_100000745507_100000703298 [0,1,0,0,0,0|2,0,1]=4 1581 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [0,1,0,0,0,0|2,0,0]=3 1582 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [0,1,0,0,0,0|2,0,0]=3 1583 B12R1.371 Cc1ncccc1SC(C)C#N 62a_100000703298_100000751574 [0,1,0,0,0,0|2,0,1]=4 1584 B12R1.371 Cc1ncccc1SC(C)C#N 62a_100000751574_100000703298 [0,1,0,0,0,0|2,0,1]=4 1585 B12R1.371 Cc1ncccc1SC(C)CO 62a_100012180447_100000751574 [0,1,0,0,0,0|2,0,0]=3 1586 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100000751574_100016084084 [0,1,0,0,0,0|2,0,0]=3 1587 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100016084084_100000751574 [0,1,0,0,0,0|2,0,0]=3 1588 B12R1.371 Cc1nccnc1N[C@H](C)CF 27a_100102880703_100011999405 [0,1,0,0,0,0|1,0,0]=2 1589 B12R1.371 Cc1nccnc1N[C@H](C)CO 27a_100000737577_100011999405 [0,1,0,0,0,0|1,0,0]=2 1590 B12R1.371 Cc1nccnc1OC(C)CO 34a_100000766352_100012180447 [0,1,0,0,0,0|1,0,0]=2 1591 B12R1.371 Cc1nccnc1SC(C)C#N 62a_100000703298_100011999405 [0,1,0,0,0,0|1,0,1]=3 1592 B12R1.371 Cc1nccnc1SC(C)C#N 62a_100011999405_100000703298 [0,1,0,0,0,0|1,0,1]=3 1593 B12R1.371 Cc1nccnc1SC(C)CO 62a_100012180447_100011999405 [0,1,0,0,0,0|1,0,0]=2 1594 B12R1.371 Cc1nccnc1SC(F)C#N 62a_100011999405_200000117898 [0,1,0,0,0,0|2,0,1]=4 1595 B12R1.371 Cc1nccnc1SC(F)C#N 62a_200000117898_100011999405 [0,1,0,0,0,0|2,0,1]=4 1596 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100011999405_100016084084 [0,1,0,0,0,0|1,0,0]=2 1597 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100016084084_100011999405 [0,1,0,0,0,0|1,0,0]=2 1598 B12R1.371 Cc1ncncc1SC(C)CO 62a_100012180447_100009819671 [0,1,0,0,0,0|3,0,0]=4 1599 B12R1.371 Cc1ncncc1S[C@H](C)CO 62a_100009819671_100016084084 [0,1,0,0,0,0|3,0,0]=4 1600 B12R1.371 Cc1ncncc1S[C@H](C)CO 62a_100016084084_100009819671 [0,1,0,0,0,0|3,0,0]=4 1601 B12R1.1009 CC(=Cc1c(ccnc1C)C)C 271570a_100102525489_100012000501 [0,1,0,0,0,0|1,0,2]=4 1602 B12R1.1009 CC(=Cc1c(ccnc1C)N)C 271570a_100102525489_100010243816 [0,1,0,0,0,0|1,0,2]=4 1603 B12R1.1009 CC(C)Nc1c(ccnc1F)F 27a_100138425928_100009874084 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.1009 CC(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100000210206 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.1009 CC(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000210206 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.1009 CC(C)Oc1c(ccnc1Cl)F 34a_100009867227_100000210206 [0,1,0,0,0,0|3,0,0]=4 1607 B12R1.1009 CC(C)Oc1c(ccnc1Cl)F 7a_100009867227_100000210206 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.1009 CC(C)Oc1c(ccnc1Cl)I 34a_100010067911_100000210206 [0,1,0,0,0,0|3,0,0]=4 1609 B12R1.1009 CC(C)Oc1c(ccnc1Cl)I 7a_100010067911_100000210206 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.1009 CC(C)Oc1c(ccnc1Cl)N 34a_100009844647_100000210206 [0,1,0,0,0,0|3,0,0]=4 1611 B12R1.1009 CC(C)Oc1c(ccnc1Cl)N 7a_100009844647_100000210206 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Br 62a_100000210206_100009814607 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Br 62a_100009814607_100000210206 [0,1,0,0,0,0|3,0,0]=4 1614 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Cl 62a_100000050019_100000210206 [0,1,0,0,0,0|3,0,0]=4 1615 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Cl 62a_100000210206_100000050019 [0,1,0,0,0,0|3,0,0]=4 1616 B12R1.1009 CC(C)Sc1c(ccnc1Cl)F 62a_100000210206_100000716511 [0,1,0,0,0,0|3,0,0]=4 1617 B12R1.1009 CC(C)Sc1c(ccnc1Cl)F 62a_100000716511_100000210206 [0,1,0,0,0,0|3,0,0]=4 1618 B12R1.1009 CC(C)Sc1c(ccnc1Cl)N 62a_100000210206_100010208016 [0,1,0,0,0,0|3,0,0]=4 1619 B12R1.1009 CC(C)Sc1c(ccnc1Cl)N 62a_100010208016_100000210206 [0,1,0,0,0,0|3,0,0]=4 1620 B12R1.1009 CC(C)Sc1c(ccnc1F)F 62a_100000210206_100009874084 [0,1,0,0,0,0|3,0,0]=4 1621 B12R1.1009 CC(C)Sc1c(ccnc1F)F 62a_100009874084_100000210206 [0,1,0,0,0,0|3,0,0]=4 1622 B12R1.1009 CC(C)Sc1c(ccnc1F)N 62a_100000210206_100010381272 [0,1,0,0,0,0|3,0,0]=4 1623 B12R1.1009 CC(C)Sc1c(ccnc1F)N 62a_100010381272_100000210206 [0,1,0,0,0,0|3,0,0]=4 1624 B12R1.1009 CC(C)Sc1c(ccnc1N)Cl 62a_100000210206_100010199028 [0,1,0,0,0,0|3,0,0]=4 1625 B12R1.1009 CC(C)Sc1c(ccnc1N)Cl 62a_100010199028_100000210206 [0,1,0,0,0,0|3,0,0]=4 1626 B12R1.1009 CC(C)Sc1c(ccnc1O)O 62a_100000210206_200009817435 [0,1,0,0,0,0|3,0,0]=4 1627 B12R1.1009 Cc1ccc[n+](c1SC(C)C)[O-] 62a_100000210206_100116209805 [0,1,0,0,0,0|2,0,1]=4 1628 B12R1.1009 Cc1cccc(c1CN(C)C)Br 2230a_100102631434_100010146847 [0,1,0,0,0,0|3,0,0]=4 1629 B12R1.1009 Cc1cccc(c1CN(C)C)Br 269982a_100102631434_100010146847 [0,1,0,0,0,0|3,0,0]=4 1630 B12R1.1009 Cc1cccc(c1CN(C)C)Br 270004a_100102631434_100009881667 [0,1,0,0,0,0|3,0,0]=4 1631 B12R1.1009 Cc1cccc(c1CN(C)C)C 2230a_100102631434_100000758300 [0,1,0,0,0,0|3,0,0]=4 1632 B12R1.1009 Cc1cccc(c1CN(C)C)C 269982a_100102631434_100000758300 [0,1,0,0,0,0|3,0,0]=4 1633 B12R1.1009 Cc1cccc(c1CN(C)C)C 270004a_100102631434_100000758299 [0,1,0,0,0,0|3,0,0]=4 1634 B12R1.1009 Cc1cccc(c1CN(C)C)Cl 270004a_100102631434_100000041122 [0,1,0,0,0,0|3,0,0]=4 1635 B12R1.1009 Cc1cccc(c1CN(C)C)F 2230a_100102631434_100009814554 [0,1,0,0,0,0|3,0,0]=4 1636 B12R1.1009 Cc1cccc(c1CN(C)C)F 269982a_100102631434_100009814554 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.1009 Cc1cccc(c1CN(C)C)F 270004a_100102631434_100000069827 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.1009 Cc1cccc(c1CN(C)C)I 2230a_100102631434_100010150146 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.1009 Cc1cccc(c1CN(C)C)I 269982a_100102631434_100010150146 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.1009 Cc1cccc(c1NC(C)C)Br 34a_100011834072_100000210206 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.1009 Cc1cccc(c1NC(C)C)C 34a_100000185769_100000210206 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.1009 Cc1cccc(c1NC(C)C)Cl 34a_100000756524_100000210206 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.1009 Cc1cccc(c1NC(C)C)F 34a_100000766463_100000210206 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.1009 Cc1cccc(c1NC(C)C)O 34a_100000743429_100000210206 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.1009 Cc1cccc(c1OC(C)C)Br 34a_100009817157_100000210206 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.1009 Cc1cccc(c1OC(C)C)Br 7a_100009817157_100000210206 [0,1,0,0,0,0|3,0,0]=4 1647 B12R1.1009 Cc1cccc(c1OC(C)C)C 34a_100000210341_100000210206 [0,1,0,0,0,0|3,0,0]=4 1648 B12R1.1009 Cc1cccc(c1OC(C)C)C 7a_100000210341_100000210206 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 34a_100000033731_100000210206 [0,1,0,0,0,0|3,0,0]=4 1650 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 7a_100000033731_100000210206 [0,1,0,0,0,0|3,0,0]=4 1651 B12R1.1009 Cc1cccc(c1OC(C)C)F 34a_100011659162_100000210206 [0,1,0,0,0,0|3,0,0]=4 1652 B12R1.1009 Cc1cccc(c1OC(C)C)F 7a_100011659162_100000210206 [0,1,0,0,0,0|3,0,0]=4 1653 B12R1.1009 Cc1cccc(c1OC(C)C)N 34a_100000756359_100000210206 [0,1,0,0,0,0|3,0,0]=4 1654 B12R1.1009 Cc1cccc(c1OC(C)C)N 7a_100000756359_100000210206 [0,1,0,0,0,0|3,0,0]=4 1655 B12R1.1009 Cc1cccc(c1SC(C)C)Br 62a_100000210206_100010141302 [0,1,0,0,0,0|3,0,0]=4 1656 B12R1.1009 Cc1cccc(c1SC(C)C)Br 62a_100010141302_100000210206 [0,1,0,0,0,0|3,0,0]=4 1657 B12R1.1009 Cc1cccc(c1SC(C)C)C 62a_100000033847_100000210206 [0,1,0,0,0,0|3,0,0]=4 1658 B12R1.1009 Cc1cccc(c1SC(C)C)C 62a_100000210206_100000033847 [0,1,0,0,0,0|3,0,0]=4 1659 B12R1.1009 Cc1cccc(c1SC(C)C)Cl 62a_100000043165_100000210206 [0,1,0,0,0,0|3,0,0]=4 1660 B12R1.1009 Cc1cccc(c1SC(C)C)Cl 62a_100000210206_100000043165 [0,1,0,0,0,0|3,0,0]=4 1661 B12R1.1009 Cc1cccc(c1SC(C)C)F 62a_100000210206_100011218421 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.1009 Cc1cccc(c1SC(C)C)F 62a_100011218421_100000210206 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.1009 Cc1cccc(c1SC(C)C)N 62a_100000210206_100000684715 [0,1,0,0,0,0|3,0,0]=4 1664 B12R1.1009 Cc1cccc(c1SC(C)C)N 62a_100000684715_100000210206 [0,1,0,0,0,0|3,0,0]=4 1665 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000210206_100000686692 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000686692_100000210206 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.1009 Cc1ccnc(c1NC(C)C)F 27a_100138425928_100009818256 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.1009 Cc1ccnc(c1OC(C)C)C 34a_100011934651_100000210206 [0,1,0,0,0,0|2,0,0]=3 1669 B12R1.1009 Cc1ccnc(c1OC(C)C)C 7a_100011934651_100000210206 [0,1,0,0,0,0|2,0,0]=3 1670 B12R1.1009 Cc1ccnc(c1OC(C)C)Cl 34a_100000696282_100000210206 [0,1,0,0,0,0|3,0,0]=4 1671 B12R1.1009 Cc1ccnc(c1OC(C)C)Cl 7a_100000696282_100000210206 [0,1,0,0,0,0|3,0,0]=4 1672 B12R1.1009 Cc1ccnc(c1SC(C)C)C 62a_100000210206_100012000501 [0,1,0,0,0,0|2,0,0]=3 1673 B12R1.1009 Cc1ccnc(c1SC(C)C)C 62a_100012000501_100000210206 [0,1,0,0,0,0|2,0,0]=3 1674 B12R1.1009 Cc1ccnc(c1SC(C)C)Cl 62a_100000210206_100010248874 [0,1,0,0,0,0|3,0,0]=4 1675 B12R1.1009 Cc1ccnc(c1SC(C)C)Cl 62a_100010248874_100000210206 [0,1,0,0,0,0|3,0,0]=4 1676 B12R1.1009 Cc1ccnc(c1SC(C)C)F 62a_100000210206_100009818256 [0,1,0,0,0,0|3,0,0]=4 1677 B12R1.1009 Cc1ccnc(c1SC(C)C)F 62a_100009818256_100000210206 [0,1,0,0,0,0|3,0,0]=4 1678 B12R1.1009 Cc1ccnc(c1SC(C)C)N 62a_100000210206_100011998619 [0,1,0,0,0,0|3,0,0]=4 1679 B12R1.1009 Cc1ccnc(c1SC(C)C)N 62a_100011998619_100000210206 [0,1,0,0,0,0|3,0,0]=4 1680 B12R1.1009 Cc1ccnc(c1SC(C)C)O 62a_100000210206_100012000493 [0,1,0,0,0,0|3,0,0]=4 1681 B12R1.1009 Cc1ccnc(c1SC(C)C)O 62a_100012000493_100000210206 [0,1,0,0,0,0|3,0,0]=4 1682 B12R1.1009 Cc1nc[nH]c(=O)c1SC(C)C 62a_100000210206_100011356812 [0,1,0,0,0,0|3,0,0]=4 1683 B12R1.1009 Cc1nc[nH]c(=O)c1SC(C)C 62a_100011356812_100000210206 [0,1,0,0,0,0|3,0,0]=4 1684 B12R1.1009 Cc1nccc(c1SC(C)C)N 62a_100000210206_100010243816 [0,1,0,0,0,0|2,0,0]=3 1685 B12R1.1009 Cc1nccc(c1SC(C)C)N 62a_100010243816_100000210206 [0,1,0,0,0,0|2,0,0]=3 1686 B12R1.1009 Cc1ncnc(c1NC(C)C)C 27a_100138425928_100009820708 [0,1,0,0,0,0|3,0,0]=4 1687 B12R1.1009 Cc1ncnc(c1OC(C)C)C 34a_100009878406_100000210206 [0,1,0,0,0,0|3,0,0]=4 1688 B12R1.1009 Cc1ncnc(c1OC(C)C)C 7a_100009878406_100000210206 [0,1,0,0,0,0|3,0,0]=4 1689 B12R1.1009 Cc1ncnc(c1SC(C)C)C 62a_100000210206_100009820708 [0,1,0,0,0,0|3,0,0]=4 1690 B12R1.1009 Cc1ncnc(c1SC(C)C)C 62a_100009820708_100000210206 [0,1,0,0,0,0|3,0,0]=4 1691 B12R1.1009 Cc1ncnc(c1SC(C)C)Cl 62a_100000210206_100012356128 [0,1,0,0,0,0|3,0,0]=4 1692 B12R1.1009 Cc1ncnc(c1SC(C)C)Cl 62a_100012356128_100000210206 [0,1,0,0,0,0|3,0,0]=4 1693 B12R1.1009 Cc1ncnc(c1SC(C)C)N 62a_100000210206_100011996190 [0,1,0,0,0,0|3,0,0]=4 1694 B12R1.1009 Cc1ncnc(c1SC(C)C)N 62a_100011996190_100000210206 [0,1,0,0,0,0|3,0,0]=4 1695 B12R1.1009 Cc1occc(=O)c1OC(C)C 34a_100000031901_100000210206 [0,1,0,0,0,0|3,0,0]=4 1696 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [0,0,1,0,0,0|3,0,0]=4 1697 B10R0.32 C=CCC(C)C(=O)CC(C)C 1458a_100011216819_100000210624 [0,0,1,0,0,0|2,0,1]=4 1698 B10R0.32 C=CCN(C)C(=O)CC(C)C 11a_100000225617_100000210554 [0,0,1,0,0,0|3,0,0]=4 1699 B10R0.32 C=CCN(C)C(=O)CC(C)C 1626a_100000225617_100000210554 [0,0,1,0,0,0|3,0,0]=4 1700 B10R0.32 C=CCN(C)C(=O)CC(C)C 240690a_100000225617_100000210554 [0,0,1,0,0,0|3,0,0]=4 1701 B10R0.32 C=CCN(C)C(=O)CC(C)C 527a_100000225617_100000210554 [0,0,1,0,0,0|3,0,0]=4 1702 B10R0.32 CO/N=C(\C)/C(=O)CC(C)C 1458a_100160996864_100000210624 [0,0,1,0,0,0|2,0,1]=4 1703 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1704 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1705 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1706 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,0,0,1,0,0|2,0,0]=3 1707 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,0,0,1,0,0|2,0,0]=3 1708 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,1,0,0|2,0,0]=3 1709 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,1,0,0|2,0,0]=3 1710 B12R2.24 CN1CCc2ncncc2C1 2230a_100012000121_200000210301 [0,0,0,1,0,0|3,0,0]=4 1711 B12R2.24 CN1CCc2ncncc2C1 269982a_100012000121_200000210301 [0,0,0,1,0,0|3,0,0]=4 1712 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1713 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1714 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1715 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,0,0,1,0,0|2,0,0]=3 1716 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,0,0,1,0,0|2,0,0]=3 1717 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,1,0,0|2,0,0]=3 1718 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,1,0,0|2,0,0]=3 1719 B12R2.24 [13CH3]N1CCc2ncncc2C1 2230a_100012000121_200025704644 [0,0,0,1,0,0|3,0,0]=4 1720 B12R2.24 [13CH3]N1CCc2ncncc2C1 269982a_100012000121_200025704644 [0,0,0,1,0,0|3,0,0]=4 1721 B12R2.202 Cc1cccc2c1CN(C2)C 2230a_100020635169_200000210301 [0,0,0,1,0,0|3,0,0]=4 1722 B12R2.202 Cc1cccc2c1CN(C2)C 269982a_100020635169_200000210301 [0,0,0,1,0,0|3,0,0]=4 1723 B12R2.202 Cc1cccc2c1CN(C2)C 34a_100020635169_200000210301 [0,0,0,1,0,0|3,0,0]=4 1724 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 2230a_100020635169_200025704644 [0,0,0,1,0,0|3,0,0]=4 1725 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 269982a_100020635169_200025704644 [0,0,0,1,0,0|3,0,0]=4 1726 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 34a_100020635169_200025704644 [0,0,0,1,0,0|3,0,0]=4 1727 B12R2.225 Brc1cccnc1NC2CC2 27a_100000212008_100000696092 [0,0,0,1,0,0|3,0,0]=4 1728 B12R2.225 Brc1cccnc1SC2CC2 62a_100000696092_100000211595 [0,0,0,1,0,0|3,0,0]=4 1729 B12R2.225 Brc1ncccc1OC2CC2 34a_100000744436_100000211595 [0,0,0,1,0,0|3,0,0]=4 1730 B12R2.225 Brc1ncccc1SC2CC2 62a_100010202626_100000211595 [0,0,0,1,0,0|3,0,0]=4 1731 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,0,0,1,0,0|3,0,0]=4 1732 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,0,0,1,0,0|3,0,0]=4 1733 B12R2.225 Cc1ccccc1SC2CC2 62a_100000210755_100000211595 [0,0,0,1,0,0|3,0,0]=4 1734 B12R2.225 Cc1cccnc1SC2CC2 62a_100000751373_100000211595 [0,0,0,1,0,0|2,0,0]=3 1735 B12R2.225 Cc1ccnnc1NC2CC2 27a_100000212008_100000089043 [0,0,0,1,0,0|3,0,0]=4 1736 B12R2.225 Cc1cncnc1NC2CC2 27a_100000212008_100011998708 [0,0,0,1,0,0|3,0,0]=4 1737 B12R2.225 Cc1cncnc1SC2CC2 62a_100011998708_100000211595 [0,0,0,1,0,0|3,0,0]=4 1738 B12R2.225 Cc1ncccc1OC2CC2 34a_100000745507_100000211595 [0,0,0,1,0,0|2,0,0]=3 1739 B12R2.225 Cc1ncccc1SC2CC2 62a_100000751574_100000211595 [0,0,0,1,0,0|2,0,0]=3 1740 B12R2.225 Cc1nccnc1NC2CC2 27a_100000212008_100011999405 [0,0,0,1,0,0|1,0,0]=2 1741 B12R2.225 Cc1nccnc1OC2CC2 34a_100000766352_100000211595 [0,0,0,1,0,0|1,0,0]=2 1742 B12R2.225 Cc1nccnc1SC2CC2 62a_100011999405_100000211595 [0,0,0,1,0,0|1,0,0]=2 1743 B12R2.225 Cc1ncncc1SC2CC2 62a_100009819671_100000211595 [0,0,0,1,0,0|3,0,0]=4 1744 B12R2.225 Clc1cccnc1OC2CC2 34a_100011290957_100000211595 [0,0,0,1,0,0|3,0,0]=4 1745 B12R2.225 Clc1cccnc1SC2CC2 62a_100011356963_100000211595 [0,0,0,1,0,0|3,0,0]=4 1746 B12R2.225 Clc1ncccc1OC2CC2 34a_100000757616_100000211595 [0,0,0,1,0,0|3,0,0]=4 1747 B12R2.225 Clc1ncccc1SC2CC2 62a_100000036424_100000211595 [0,0,0,1,0,0|3,0,0]=4 1748 B12R2.225 Clc1nccnc1SC2CC2 62a_100010886584_100000211595 [0,0,0,1,0,0|2,0,0]=3 1749 B12R2.225 Fc1cccnc1OC2CC2 34a_100011219419_100000211595 [0,0,0,1,0,0|3,0,0]=4 1750 B12R2.225 Fc1cccnc1SC2CC2 62a_100000685392_100000211595 [0,0,0,1,0,0|3,0,0]=4 1751 B12R2.225 Fc1ncccc1OC2CC2 34a_100000061740_100000211595 [0,0,0,1,0,0|3,0,0]=4 1752 B12R2.225 Fc1ncccc1SC2CC2 62a_100009816115_100000211595 [0,0,0,1,0,0|3,0,0]=4 1753 B12R2.225 Fc1nccnc1NC2CC2 27a_100000212008_200010125657 [0,0,0,1,0,0|2,0,0]=3 1754 B12R2.225 Fc1nccnc1SC2CC2 62a_200010125657_100000211595 [0,0,0,1,0,0|2,0,0]=3 1755 B12R2.225 Ic1ncccc1OC2CC2 34a_100000034122_100000211595 [0,0,0,1,0,0|3,0,0]=4 1756 B12R2.225 Nc1cccnc1OC2CC2 34a_100000746358_100000211595 [0,0,0,1,0,0|3,0,0]=4 1757 B12R2.225 Nc1cccnc1SC2CC2 62a_100000688686_100000211595 [0,0,0,1,0,0|3,0,0]=4 1758 B12R2.225 Nc1ncccc1OC2CC2 34a_100000211975_100000211595 [0,0,0,1,0,0|3,0,0]=4 1759 B12R2.225 Nc1ncccc1SC2CC2 62a_100000045569_100000211595 [0,0,0,1,0,0|3,0,0]=4 1760 B12R2.225 Nc1nccnc1SC2CC2 62a_100000747729_100000211595 [0,0,0,1,0,0|2,0,0]=3 1761 B12R2.225 Oc1cccnc1SC2CC2 62a_100000034122_100000211595 [0,0,0,1,0,0|3,0,0]=4 1762 B12R2.225 Oc1ncccc1SC2CC2 62a_100000760158_100000211595 [0,0,0,1,0,0|3,0,0]=4 1763 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,0,0,1,0,0|3,0,0]=4 1764 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,0,0,1,0|1,0,2]=4 1765 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,0,1,0|1,0,2]=4 1766 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,0,0,0,1,0|0,0,2]=3 1767 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,0,0,0,1,0|1,0,2]=4 1768 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,0,0,0,1,0|1,0,2]=4 1769 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,0,0,1,0|2,0,1]=4 1770 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,0,0,1,0|3,0,0]=4 1771 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,0,0,0,1,0|2,0,0]=3 1772 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [0,0,0,0,1,0|3,0,0]=4 1773 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,0,0,0,1,0|3,0,0]=4 1774 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,0,0,0,1,0|3,0,0]=4 1775 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,0,0,0,1,0|3,0,0]=4 1776 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,0,0,0,1,0|3,0,0]=4 1777 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,0,0,0,1,0|2,0,0]=3 1778 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,0,0,0,1,0|2,0,0]=3 1779 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,0,0,0,1,0|3,0,0]=4 1780 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,0,0,1,0|3,0,0]=4 1781 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,0,0,1,0|3,0,0]=4 1782 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,0,0,1,0|3,0,0]=4 1783 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,0,0,1,0|3,0,0]=4 1784 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,0,0,1,0|3,0,0]=4 1785 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,0,0,1,0|3,0,0]=4 1786 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [0,0,0,0,1,0|3,0,0]=4 1787 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [0,0,0,0,1,0|3,0,0]=4 1788 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,0,0,0,1,0|1,0,0]=2 1789 B10R1.64 CC(=Cc1c[nH]nc1C)C 271570a_100102525489_100011912673 [0,0,0,0,1,0|1,0,2]=4 1790 B10R1.64 CC(=Cc1ccnn1C)C 271570a_100102525489_100000688441 [0,0,0,0,1,0|1,0,2]=4 1791 B10R1.64 CC(=Cc1ccsc1C)C 271570a_100102525489_100000684487 [0,0,0,0,1,0|1,0,2]=4 1792 B10R1.64 CC(=Cc1n[nH]cc1C)C 271570a_100102525489_100009871783 [0,0,0,0,1,0|1,0,2]=4 1793 B10R1.64 CC(=Cc1nc[nH]c1C)C 271570a_100102525489_100009816806 [0,0,0,0,1,0|0,0,3]=4 1794 B10R1.64 CC(=Cc1nccn1C)C 271570a_100102525489_100000707724 [0,0,0,0,1,0|1,0,2]=4 1795 B10R1.64 CC(=Cc1ncnn1C)C 271570a_100102525489_100000732653 [0,0,0,0,1,0|1,0,2]=4 1796 B10R1.64 CC(=Cc1ncsc1C)C 271570a_100102525489_100000732656 [0,0,0,0,1,0|1,0,2]=4 1797 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,0,0,0,1,0|1,0,2]=4 1798 B10R1.64 CC(=Cc1scnc1C)C 271570a_100102525489_100009817116 [0,0,0,0,1,0|1,0,2]=4 1799 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,0,0,0,1,0|2,0,1]=4 1800 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,0,0,0,1,0|1,0,2]=4 1801 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,0,0,0,1,0|2,0,1]=4 1802 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000070787_200000044682 [0,0,0,0,1,0|2,0,1]=4 1803 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000238572_200000210301 [0,0,0,0,1,0|2,0,1]=4 1804 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,0,0,0,1,0|2,0,1]=4 1805 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,0,0,0,1,0|2,0,1]=4 1806 B10R1.64 CC(C)Nc1ncnn1C 27a_100138425928_100000732653 [0,0,0,0,1,0|2,0,0]=3 1807 B10R1.64 CC(C)Oc1ccnn1C 34a_100020632926_100000210206 [0,0,0,0,1,0|2,0,0]=3 1808 B10R1.64 CC(C)Sc1[nH]cnc1Cl 62a_100000210206_100010200774 [0,0,0,0,1,0|2,0,1]=4 1809 B10R1.64 CC(C)Sc1[nH]cnc1Cl 62a_100010200774_100000210206 [0,0,0,0,1,0|2,0,1]=4 1810 B10R1.64 CC(C)Sc1c[nH]nc1Br 62a_100000210206_100011012988 [0,0,0,0,1,0|3,0,0]=4 1811 B10R1.64 CC(C)Sc1c[nH]nc1Br 62a_100011012988_100000210206 [0,0,0,0,1,0|3,0,0]=4 1812 B10R1.64 CC(C)Sc1c[nH]nc1F 62a_100000210206_100015597042 [0,0,0,0,1,0|3,0,0]=4 1813 B10R1.64 CC(C)Sc1c[nH]nc1F 62a_100015597042_100000210206 [0,0,0,0,1,0|3,0,0]=4 1814 B10R1.64 CC(C)Sc1c[nH]nc1N 62a_100000210206_100000717100 [0,0,0,0,1,0|3,0,0]=4 1815 B10R1.64 CC(C)Sc1c[nH]nc1N 62a_100000717100_100000210206 [0,0,0,0,1,0|3,0,0]=4 1816 B10R1.64 CC(C)Sc1ccnn1C 62a_100000210206_100000688441 [0,0,0,0,1,0|2,0,0]=3 1817 B10R1.64 CC(C)Sc1ccnn1C 62a_100000688441_100000210206 [0,0,0,0,1,0|2,0,0]=3 1818 B10R1.64 CC(C)Sc1conc1N 62a_100000210206_100012597345 [0,0,0,0,1,0|3,0,0]=4 1819 B10R1.64 CC(C)Sc1conc1N 62a_100012597345_100000210206 [0,0,0,0,1,0|3,0,0]=4 1820 B10R1.64 CC(C)Sc1n[nH]cc1Br 62a_100000210206_100015839836 [0,0,0,0,1,0|3,0,0]=4 1821 B10R1.64 CC(C)Sc1n[nH]cc1Br 62a_100015839836_100000210206 [0,0,0,0,1,0|3,0,0]=4 1822 B10R1.64 CC(C)Sc1n[nH]cc1N 62a_100000210206_100010894806 [0,0,0,0,1,0|3,0,0]=4 1823 B10R1.64 CC(C)Sc1n[nH]cc1N 62a_100010894806_100000210206 [0,0,0,0,1,0|3,0,0]=4 1824 B10R1.64 CC(C)Sc1nccn1C 62a_100000210206_100000707724 [0,0,0,0,1,0|2,0,0]=3 1825 B10R1.64 CC(C)Sc1nccn1C 62a_100000707724_100000210206 [0,0,0,0,1,0|2,0,0]=3 1826 B10R1.64 CC(C)Sc1ncnn1C 62a_100000210206_100000732653 [0,0,0,0,1,0|2,0,0]=3 1827 B10R1.64 CC(C)Sc1ncnn1C 62a_100000732653_100000210206 [0,0,0,0,1,0|2,0,0]=3 1828 B10R1.64 CC(C)Sc1sccc1Br 62a_100000210206_100012361411 [0,0,0,0,1,0|3,0,0]=4 1829 B10R1.64 CC(C)Sc1sccc1Br 62a_100012361411_100000210206 [0,0,0,0,1,0|3,0,0]=4 1830 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,0,0,0,1,0|3,0,0]=4 1831 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,0,0,0,1,0|3,0,0]=4 1832 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,0,0,0,1,0|3,0,0]=4 1833 B10R1.64 CN(C)Cc1ccnn1C 2230a_100000723423_200000210301 [0,0,0,0,1,0|2,0,0]=3 1834 B10R1.64 CN(C)Cc1ccnn1C 2230a_100102631434_100000691648 [0,0,0,0,1,0|2,0,0]=3 1835 B10R1.64 CN(C)Cc1ccnn1C 269982a_100000723423_200000210301 [0,0,0,0,1,0|2,0,0]=3 1836 B10R1.64 CN(C)Cc1ccnn1C 269982a_100102631434_100000691648 [0,0,0,0,1,0|2,0,0]=3 1837 B10R1.64 CN(C)Cc1ccnn1C 270004a_100102631434_100000737161 [0,0,0,0,1,0|2,0,0]=3 1838 B10R1.64 CN(C)Cc1ccsc1Br 2230a_100009817074_200000210301 [0,0,0,0,1,0|3,0,0]=4 1839 B10R1.64 CN(C)Cc1ccsc1Br 2230a_100102631434_100009814289 [0,0,0,0,1,0|3,0,0]=4 1840 B10R1.64 CN(C)Cc1ccsc1Br 269982a_100009817074_200000210301 [0,0,0,0,1,0|3,0,0]=4 1841 B10R1.64 CN(C)Cc1ccsc1Br 269982a_100102631434_100009814289 [0,0,0,0,1,0|3,0,0]=4 1842 B10R1.64 CN(C)Cc1ccsc1Br 270004a_100102631434_100009816921 [0,0,0,0,1,0|3,0,0]=4 1843 B10R1.64 CN(C)Cc1ccsc1Cl 2230a_100102631434_100010167017 [0,0,0,0,1,0|3,0,0]=4 1844 B10R1.64 CN(C)Cc1ccsc1Cl 269982a_100102631434_100010167017 [0,0,0,0,1,0|3,0,0]=4 1845 B10R1.64 CN(C)Cc1ccsc1Cl 270004a_100102631434_100000089901 [0,0,0,0,1,0|3,0,0]=4 1846 B10R1.64 CN(C)Cc1n[nH]cc1Cl 270004a_100102631434_100000040271 [0,0,0,0,1,0|3,0,0]=4 1847 B10R1.64 CN(C)Cc1nccn1C 2230a_100102631434_100000700302 [0,0,0,0,1,0|2,0,0]=3 1848 B10R1.64 CN(C)Cc1nccn1C 269982a_100102631434_100000700302 [0,0,0,0,1,0|2,0,0]=3 1849 B10R1.64 CN(C)Cc1nccn1C 270004a_100102631434_100000748660 [0,0,0,0,1,0|2,0,0]=3 1850 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,0,0,0,1,0|3,0,0]=4 1851 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,0,0,0,1,0|3,0,0]=4 1852 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,0,0,0,1,0|3,0,0]=4 1853 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,0,0,0,1,0|3,0,0]=4 1854 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,0,0,0,1,0|3,0,0]=4 1855 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,0,0,0,1,0|3,0,0]=4 1856 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,0,0,0,1,0|3,0,0]=4 1857 B10R1.64 CN([13CH3])Cc1ccnn1C 2230a_100000723423_200025704644 [0,0,0,0,1,0|2,0,0]=3 1858 B10R1.64 CN([13CH3])Cc1ccnn1C 269982a_100000723423_200025704644 [0,0,0,0,1,0|2,0,0]=3 1859 B10R1.64 CN([13CH3])Cc1ccsc1Br 2230a_100009817074_200025704644 [0,0,0,0,1,0|3,0,0]=4 1860 B10R1.64 CN([13CH3])Cc1ccsc1Br 269982a_100009817074_200025704644 [0,0,0,0,1,0|3,0,0]=4 1861 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,0,0,0,1,0|3,0,0]=4 1862 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,0,0,0,1,0|3,0,0]=4 1863 B10R1.64 Cc1[nH]cnc1CN(C)C 2230a_100102631434_100000751220 [0,0,0,0,1,0|1,0,1]=3 1864 B10R1.64 Cc1[nH]cnc1CN(C)C 269982a_100102631434_100000751220 [0,0,0,0,1,0|1,0,1]=3 1865 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100000210206_100010186451 [0,0,0,0,1,0|1,0,1]=3 1866 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100010186451_100000210206 [0,0,0,0,1,0|1,0,1]=3 1867 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100000210206_100009871783 [0,0,0,0,1,0|2,0,0]=3 1868 B10R1.64 Cc1c[nH]nc1SC(C)C 62a_100009871783_100000210206 [0,0,0,0,1,0|2,0,0]=3 1869 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,0,0,0,1,0|2,0,1]=4 1870 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,0,0,0,1,0|2,0,0]=3 1871 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,0,0,0,1,0|2,0,0]=3 1872 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,0,0,0,1,0|2,0,0]=3 1873 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,0,0,0,1,0|2,0,0]=3 1874 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,0,0,0,1,0|2,0,0]=3 1875 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,0,0,0,1,0|2,0,0]=3 1876 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,0,0,0,1,0|2,0,0]=3 1877 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,0,0,0,1,0|2,0,0]=3 1878 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,0,0,0,1,0|2,0,0]=3 1879 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,0,0,0,1,0|2,0,0]=3 1880 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,0,0,0,1,0|2,0,0]=3 1881 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,0,0,0,1,0|2,0,0]=3 1882 B10R1.64 Cc1cn[nH]c1CN(C)C 270004a_100102631434_100000708485 [0,0,0,0,1,0|2,0,1]=4 1883 B10R1.64 Cc1cscc1SC(C)C 62a_100000210206_100000759966 [0,0,0,0,1,0|3,0,0]=4 1884 B10R1.64 Cc1cscc1SC(C)C 62a_100000759966_100000210206 [0,0,0,0,1,0|3,0,0]=4 1885 B10R1.64 Cc1n[nH]cc1CN(C)C 2230a_100020588691_200000210301 [0,0,0,0,1,0|2,0,0]=3 1886 B10R1.64 Cc1n[nH]cc1CN(C)C 269982a_100020588691_200000210301 [0,0,0,0,1,0|2,0,0]=3 1887 B10R1.64 Cc1n[nH]cc1CN(C)[13CH3] 2230a_100020588691_200025704644 [0,0,0,0,1,0|2,0,0]=3 1888 B10R1.64 Cc1n[nH]cc1CN(C)[13CH3] 269982a_100020588691_200025704644 [0,0,0,0,1,0|2,0,0]=3 1889 B10R1.64 Cc1n[nH]cc1SC(C)C 62a_100000210206_100000692133 [0,0,0,0,1,0|2,0,0]=3 1890 B10R1.64 Cc1n[nH]cc1SC(C)C 62a_100000692133_100000210206 [0,0,0,0,1,0|2,0,0]=3 1891 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,0,0,0,1,0|2,0,1]=4 1892 B10R1.64 Cc1ncsc1SC(C)C 62a_100000210206_100009817116 [0,0,0,0,1,0|2,0,0]=3 1893 B10R1.64 Cc1ncsc1SC(C)C 62a_100009817116_100000210206 [0,0,0,0,1,0|2,0,0]=3 1894 B10R1.64 Cc1nnsc1CN(C)C 2230a_100102631434_100000732739 [0,0,0,0,1,0|3,0,0]=4 1895 B10R1.64 Cc1nnsc1CN(C)C 269982a_100102631434_100000732739 [0,0,0,0,1,0|3,0,0]=4 1896 B10R1.64 Cc1nnsc1CN(C)C 270004a_100102631434_100000732746 [0,0,0,0,1,0|3,0,0]=4 1897 B10R1.64 Cc1nonc1CC(=O)[13CH3] 1458a_100000238572_200025704644 [0,0,0,0,1,0|2,0,1]=4 1898 B10R1.64 Cc1nonc1CN(C)C 2230a_100102631434_200000044682 [0,0,0,0,1,0|2,0,0]=3 1899 B10R1.64 Cc1nonc1CN(C)C 2230a_200016994989_200000210301 [0,0,0,0,1,0|2,0,0]=3 1900 B10R1.64 Cc1nonc1CN(C)C 269982a_100102631434_200000044682 [0,0,0,0,1,0|2,0,0]=3 1901 B10R1.64 Cc1nonc1CN(C)C 269982a_200016994989_200000210301 [0,0,0,0,1,0|2,0,0]=3 1902 B10R1.64 Cc1nonc1CN(C)[13CH3] 2230a_200016994989_200025704644 [0,0,0,0,1,0|2,0,0]=3 1903 B10R1.64 Cc1nonc1CN(C)[13CH3] 269982a_200016994989_200025704644 [0,0,0,0,1,0|2,0,0]=3 1904 B10R1.64 Cc1occc1CN(C)C 2230a_100000745204_200000210301 [0,0,0,0,1,0|2,0,0]=3 1905 B10R1.64 Cc1occc1CN(C)C 269982a_100000745204_200000210301 [0,0,0,0,1,0|2,0,0]=3 1906 B10R1.64 Cc1occc1CN(C)[13CH3] 2230a_100000745204_200025704644 [0,0,0,0,1,0|2,0,0]=3 1907 B10R1.64 Cc1occc1CN(C)[13CH3] 269982a_100000745204_200025704644 [0,0,0,0,1,0|2,0,0]=3 1908 B10R1.64 Cc1ocnc1CN(C)C 2230a_100102631434_200000693990 [0,0,0,0,1,0|2,0,0]=3 1909 B10R1.64 Cc1oncc1SC(C)C 62a_100000210206_100009872056 [0,0,0,0,1,0|3,0,0]=4 1910 B10R1.64 Cc1oncc1SC(C)C 62a_100009872056_100000210206 [0,0,0,0,1,0|3,0,0]=4 1911 B10R1.64 Cc1sccc1SC(C)C 62a_100000210206_100000684487 [0,0,0,0,1,0|2,0,0]=3 1912 B10R1.64 Cc1sccc1SC(C)C 62a_100000684487_100000210206 [0,0,0,0,1,0|2,0,0]=3 1913 B10R1.64 Cc1scnc1SC(C)C 62a_100000210206_100000732656 [0,0,0,0,1,0|2,0,0]=3 1914 B10R1.64 Cc1scnc1SC(C)C 62a_100000732656_100000210206 [0,0,0,0,1,0|2,0,0]=3 1915 B12R1.125 C=C(C)CNc1nccnc1C 27a_100000765925_100011999405 [0,0,0,0,0,1|0,0,2]=3 1916 B12R1.125 C=C(C)CNc1nccnc1F 27a_100000765925_200010125657 [0,0,0,0,0,1|1,0,2]=4 1917 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [0,0,0,0,0,1|1,0,2]=4 1918 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [0,0,0,0,0,1|1,0,2]=4 1919 B12R1.125 C=C(C)COc1nccnc1C 34a_100000766352_100000748629 [0,0,0,0,0,1|0,0,2]=3 1920 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000748629_100000751574 [0,0,0,0,0,1|1,0,2]=4 1921 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000751574_100000211660 [0,0,0,0,0,1|1,0,2]=4 1922 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,0,0,0,0,1|1,0,2]=4 1923 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,0,0,0,0,1|1,0,2]=4 1924 B12R1.125 C=C(C)CSc1nccnc1C 62a_100000748629_100011999405 [0,0,0,0,0,1|0,0,2]=3 1925 B12R1.125 C=C(C)CSc1nccnc1C 62a_100011999405_100000211660 [0,0,0,0,0,1|0,0,2]=3 1926 B12R1.125 C=C(C)CSc1nccnc1Cl 62a_100000748629_100010886584 [0,0,0,0,0,1|1,0,2]=4 1927 B12R1.125 C=C(C)CSc1nccnc1Cl 62a_100010886584_100000211660 [0,0,0,0,0,1|1,0,2]=4 1928 B12R1.125 C=C(C)CSc1nccnc1F 62a_100000748629_200010125657 [0,0,0,0,0,1|1,0,2]=4 1929 B12R1.125 C=C(C)CSc1nccnc1F 62a_200010125657_100000211660 [0,0,0,0,0,1|1,0,2]=4 1930 B12R1.125 C=C(C)CSc1nccnc1N 62a_100000747729_100000211660 [0,0,0,0,0,1|1,0,2]=4 1931 B12R1.125 C=C(C)CSc1nccnc1N 62a_100000748629_100000747729 [0,0,0,0,0,1|1,0,2]=4 1932 B12R1.125 C=C(F)COc1nccnc1C 34a_100000766352_100009893438 [0,0,0,0,0,1|1,0,2]=4 1933 B12R1.125 C=C(F)CSc1nccnc1C 62a_100000042424_100011999405 [0,0,0,0,0,1|1,0,2]=4 1934 B12R1.125 C=C(F)CSc1nccnc1C 62a_100011999405_100000042424 [0,0,0,0,0,1|1,0,2]=4 1935 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,0,0,0,0,1|2,0,1]=4 1936 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,0,0,0,0,1|2,0,1]=4 1937 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,0,0,0,0,1|2,0,1]=4 1938 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,0,0,0,0,1|2,0,1]=4 1939 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,0,0,0,0,1|1,0,1]=3 1940 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,0,0,0,0,1|1,0,1]=3 1941 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,0,0,0,0,1|1,0,1]=3 1942 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,0,0,0,0,1|2,0,1]=4 1943 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,0,0,0,0,1|2,0,1]=4 1944 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,0,0,0,0,1|2,0,1]=4 1945 B12R1.125 CC(C)C=Cc1cccnc1Br 271570a_100016257149_100010202626 [0,0,0,0,0,1|2,0,1]=4 1946 B12R1.125 CC(C)C=Cc1cccnc1Cl 271570a_100016257149_100000036424 [0,0,0,0,0,1|2,0,1]=4 1947 B12R1.125 CC(C)C=Cc1cccnc1F 271570a_100016257149_100009816115 [0,0,0,0,0,1|2,0,1]=4 1948 B12R1.125 CC(C)C=Cc1cccnc1N 271570a_100016257149_100000045569 [0,0,0,0,0,1|2,0,1]=4 1949 B12R1.125 CC(C)C=Cc1ncc[nH]c1=O 271570a_100016257149_100000763361 [0,0,0,0,0,1|1,0,2]=4 1950 B12R1.125 CC(C)C=Cc1ncccc1Br 271570a_100016257149_100000696092 [0,0,0,0,0,1|2,0,1]=4 1951 B12R1.125 CC(C)C=Cc1ncccc1Cl 271570a_100016257149_100011356963 [0,0,0,0,0,1|2,0,1]=4 1952 B12R1.125 CC(C)C=Cc1ncccc1F 271570a_100016257149_100000685392 [0,0,0,0,0,1|2,0,1]=4 1953 B12R1.125 CC(C)C=Cc1ncccc1N 271570a_100016257149_100000688686 [0,0,0,0,0,1|2,0,1]=4 1954 B12R1.125 CC(C)C=Cc1ncccc1O 271570a_100016257149_100000034122 [0,0,0,0,0,1|2,0,1]=4 1955 B12R1.125 CC(C)C=Cc1nccnc1F 271570a_100016257149_200010125657 [0,0,0,0,0,1|1,0,1]=3 1956 B12R1.125 CC(C)C=Cc1nccnc1N 271570a_100016257149_100000747729 [0,0,0,0,0,1|1,0,1]=3 1957 B12R1.125 CC(C)CCc1ncncc1O 271570a_203496583355_200009816994 [0,0,0,0,0,1|3,0,0]=4 1958 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,0,0,0,0,1|3,0,0]=4 1959 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,0,0,0,0,1|3,0,0]=4 1960 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,0,0,0,0,1|3,0,0]=4 1961 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,0,0,0,0,1|3,0,0]=4 1962 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,0,0,0,0,1|3,0,0]=4 1963 B12R1.125 CC(C)CNc1ncccc1Br 27a_100000210953_100000696092 [0,0,0,0,0,1|2,0,0]=3 1964 B12R1.125 CC(C)CNc1nccnc1F 27a_100000210953_200010125657 [0,0,0,0,0,1|1,0,0]=2 1965 B12R1.125 CC(C)CNc1ncncc1F 27a_100000210953_100000069762 [0,0,0,0,0,1|3,0,0]=4 1966 B12R1.125 CC(C)CNc1ncncc1N 27a_100000210953_100000709731 [0,0,0,0,0,1|3,0,0]=4 1967 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,0,0,0,0,1|3,0,0]=4 1968 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,0,0,0,0,1|3,0,0]=4 1969 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,0,0,0,0,1|3,0,0]=4 1970 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,0,0,0,0,1|3,0,0]=4 1971 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,0,0,0,0,1|3,0,0]=4 1972 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,0,0,0,0,1|3,0,0]=4 1973 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,0,0,0,0,1|3,0,0]=4 1974 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,0,0,0,0,1|3,0,0]=4 1975 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,0,0,0,0,1|3,0,0]=4 1976 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,0,0,0,0,1|3,0,0]=4 1977 B12R1.125 CC(C)COc1cccnc1Br 34a_100000744436_100000210624 [0,0,0,0,0,1|2,0,0]=3 1978 B12R1.125 CC(C)COc1cccnc1Br 7a_100000744436_100000210760 [0,0,0,0,0,1|2,0,0]=3 1979 B12R1.125 CC(C)COc1cccnc1Cl 34a_100000757616_100000210624 [0,0,0,0,0,1|2,0,0]=3 1980 B12R1.125 CC(C)COc1cccnc1Cl 7a_100000757616_100000210760 [0,0,0,0,0,1|2,0,0]=3 1981 B12R1.125 CC(C)COc1cccnc1F 34a_100000061740_100000210624 [0,0,0,0,0,1|2,0,0]=3 1982 B12R1.125 CC(C)COc1cccnc1F 7a_100000061740_100000210760 [0,0,0,0,0,1|2,0,0]=3 1983 B12R1.125 CC(C)COc1cccnc1I 34a_100000034122_100000210624 [0,0,0,0,0,1|2,0,0]=3 1984 B12R1.125 CC(C)COc1cccnc1I 7a_100000034122_100000210760 [0,0,0,0,0,1|2,0,0]=3 1985 B12R1.125 CC(C)COc1cccnc1N 34a_100000211975_100000210624 [0,0,0,0,0,1|2,0,0]=3 1986 B12R1.125 CC(C)COc1cccnc1N 7a_100000211975_100000210760 [0,0,0,0,0,1|2,0,0]=3 1987 B12R1.125 CC(C)COc1cccoc1=O 34a_100000077404_100000210624 [0,0,0,0,0,1|3,0,0]=4 1988 B12R1.125 CC(C)COc1cccoc1=O 7a_100000077404_100000210760 [0,0,0,0,0,1|3,0,0]=4 1989 B12R1.125 CC(C)COc1cncnc1N 7a_100000112926_100000210760 [0,0,0,0,0,1|3,0,0]=4 1990 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,0,0,0,0,1|2,0,0]=3 1991 B12R1.125 CC(C)COc1ncccc1F 34a_100011219419_100000210624 [0,0,0,0,0,1|2,0,0]=3 1992 B12R1.125 CC(C)COc1ncccc1N 34a_100000746358_100000210624 [0,0,0,0,0,1|2,0,0]=3 1993 B12R1.125 CC(C)CSc1cccc[n+]1C 62a_100000210624_100000212160 [0,0,0,0,0,1|3,0,0]=4 1994 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,0,0,0,0,1|3,0,0]=4 1995 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,0,0,0,0,1|3,0,0]=4 1996 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,0,0,0,0,1|3,0,0]=4 1997 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,0,0,0,0,1|3,0,0]=4 1998 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,0,0,0,0,1|3,0,0]=4 1999 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,0,0,0,0,1|3,0,0]=4 2000 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,0,0,0,0,1|3,0,0]=4 2001 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,0,0,0,0,1|3,0,0]=4 2002 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,0,0,0,0,1|3,0,0]=4 2003 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,0,0,0,0,1|3,0,0]=4 2004 B12R1.125 CC(C)CSc1cccnc1Br 62a_100000210624_100010202626 [0,0,0,0,0,1|2,0,0]=3 2005 B12R1.125 CC(C)CSc1cccnc1Br 62a_100010202626_100000210760 [0,0,0,0,0,1|2,0,0]=3 2006 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000036424_100000210760 [0,0,0,0,0,1|2,0,0]=3 2007 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000210624_100000036424 [0,0,0,0,0,1|2,0,0]=3 2008 B12R1.125 CC(C)CSc1cccnc1F 62a_100000210624_100009816115 [0,0,0,0,0,1|2,0,0]=3 2009 B12R1.125 CC(C)CSc1cccnc1F 62a_100009816115_100000210760 [0,0,0,0,0,1|2,0,0]=3 2010 B12R1.125 CC(C)CSc1cccnc1N 62a_100000045569_100000210760 [0,0,0,0,0,1|2,0,0]=3 2011 B12R1.125 CC(C)CSc1cccnc1N 62a_100000210624_100000045569 [0,0,0,0,0,1|2,0,0]=3 2012 B12R1.125 CC(C)CSc1cccnc1O 62a_100000210624_100000760158 [0,0,0,0,0,1|2,0,0]=3 2013 B12R1.125 CC(C)CSc1cccnc1O 62a_100000760158_100000210760 [0,0,0,0,0,1|2,0,0]=3 2014 B12R1.125 CC(C)CSc1cncnc1Br 62a_100000210624_200012461658 [0,0,0,0,0,1|3,0,0]=4 2015 B12R1.125 CC(C)CSc1cncnc1Br 62a_200012461658_100000210760 [0,0,0,0,0,1|3,0,0]=4 2016 B12R1.125 CC(C)CSc1cncnc1Cl 62a_100000210624_100000758962 [0,0,0,0,0,1|3,0,0]=4 2017 B12R1.125 CC(C)CSc1cncnc1Cl 62a_100000758962_100000210760 [0,0,0,0,0,1|3,0,0]=4 2018 B12R1.125 CC(C)CSc1cncnc1N 62a_100000210624_100011996079 [0,0,0,0,0,1|3,0,0]=4 2019 B12R1.125 CC(C)CSc1cncnc1N 62a_100011996079_100000210760 [0,0,0,0,0,1|3,0,0]=4 2020 B12R1.125 CC(C)CSc1cncnc1O 62a_100000210624_100000751107 [0,0,0,0,0,1|3,0,0]=4 2021 B12R1.125 CC(C)CSc1cncnc1O 62a_100000751107_100000210760 [0,0,0,0,0,1|3,0,0]=4 2022 B12R1.125 CC(C)CSc1ncc[nH]c1=O 62a_100000210624_100000763361 [0,0,0,0,0,1|1,0,1]=3 2023 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000210624_100000696092 [0,0,0,0,0,1|2,0,0]=3 2024 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000696092_100000210760 [0,0,0,0,0,1|2,0,0]=3 2025 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100000210624_100011356963 [0,0,0,0,0,1|2,0,0]=3 2026 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100011356963_100000210760 [0,0,0,0,0,1|2,0,0]=3 2027 B12R1.125 CC(C)CSc1ncccc1F 62a_100000210624_100000685392 [0,0,0,0,0,1|2,0,0]=3 2028 B12R1.125 CC(C)CSc1ncccc1F 62a_100000685392_100000210760 [0,0,0,0,0,1|2,0,0]=3 2029 B12R1.125 CC(C)CSc1ncccc1N 62a_100000210624_100000688686 [0,0,0,0,0,1|2,0,0]=3 2030 B12R1.125 CC(C)CSc1ncccc1N 62a_100000688686_100000210760 [0,0,0,0,0,1|2,0,0]=3 2031 B12R1.125 CC(C)CSc1ncccc1O 62a_100000034122_100000210760 [0,0,0,0,0,1|2,0,0]=3 2032 B12R1.125 CC(C)CSc1ncccc1O 62a_100000210624_100000034122 [0,0,0,0,0,1|2,0,0]=3 2033 B12R1.125 CC(C)CSc1nccnc1Cl 62a_100000210624_100010886584 [0,0,0,0,0,1|1,0,0]=2 2034 B12R1.125 CC(C)CSc1nccnc1Cl 62a_100010886584_100000210760 [0,0,0,0,0,1|1,0,0]=2 2035 B12R1.125 CC(C)CSc1nccnc1F 62a_100000210624_200010125657 [0,0,0,0,0,1|1,0,0]=2 2036 B12R1.125 CC(C)CSc1nccnc1F 62a_200010125657_100000210760 [0,0,0,0,0,1|1,0,0]=2 2037 B12R1.125 CC(C)CSc1nccnc1N 62a_100000210624_100000747729 [0,0,0,0,0,1|1,0,0]=2 2038 B12R1.125 CC(C)CSc1nccnc1N 62a_100000747729_100000210760 [0,0,0,0,0,1|1,0,0]=2 2039 B12R1.125 CC(C)CSc1ncncc1F 62a_100000069762_100000210760 [0,0,0,0,0,1|3,0,0]=4 2040 B12R1.125 CC(C)CSc1ncncc1F 62a_100000210624_100000069762 [0,0,0,0,0,1|3,0,0]=4 2041 B12R1.125 CC(C)CSc1ncncc1N 62a_100000210624_100000709731 [0,0,0,0,0,1|3,0,0]=4 2042 B12R1.125 CC(C)CSc1ncncc1N 62a_100000709731_100000210760 [0,0,0,0,0,1|3,0,0]=4 2043 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,0,0,0,0,1|3,0,0]=4 2044 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,0,0,0,0,1|3,0,0]=4 2045 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,0,0,0,0,1|3,0,0]=4 2046 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,0,0,0,0,1|3,0,0]=4 2047 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,0,0,0,0,1|3,0,0]=4 2048 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,0,0,0,0,1|3,0,0]=4 2049 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,0,0,0,0,1|3,0,0]=4 2050 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,0,0,0,0,1|3,0,0]=4 2051 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,0,0,0,0,1|3,0,0]=4 2052 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,0,0,0,0,1|3,0,0]=4 2053 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,0,0,0,0,1|3,0,0]=4 2054 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,0,0,0,0,1|3,0,0]=4 2055 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,0,0,0,0,1|3,0,0]=4 2056 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,0,0,0,0,1|3,0,0]=4 2057 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,0,0,0,0,1|3,0,0]=4 2058 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,0,0,0,0,1|3,0,0]=4 2059 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,0,0,0,0,1|3,0,0]=4 2060 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,0,0,0,0,1|3,0,0]=4 2061 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,0,0,0,0,1|3,0,0]=4 2062 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100009818023_100000210206 [0,0,0,0,0,1|2,0,0]=3 2063 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100138425928_100010140945 [0,0,0,0,0,1|2,0,0]=3 2064 B12R1.125 CC(C)NCc1cccnc1Br 34a_100009818023_100000210206 [0,0,0,0,0,1|2,0,0]=3 2065 B12R1.125 CC(C)NCc1cccnc1Br 34a_100138425928_100010140945 [0,0,0,0,0,1|2,0,0]=3 2066 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100015189234_100000210206 [0,0,0,0,0,1|2,0,0]=3 2067 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100138425928_100000045678 [0,0,0,0,0,1|2,0,0]=3 2068 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100015189234_100000210206 [0,0,0,0,0,1|2,0,0]=3 2069 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100138425928_100000045678 [0,0,0,0,0,1|2,0,0]=3 2070 B12R1.125 CC(C)NCc1cccnc1F 2230a_100138425928_100000099810 [0,0,0,0,0,1|2,0,0]=3 2071 B12R1.125 CC(C)NCc1cccnc1F 34a_100000724633_100000210206 [0,0,0,0,0,1|2,0,0]=3 2072 B12R1.125 CC(C)NCc1cccnc1F 34a_100138425928_100000099810 [0,0,0,0,0,1|2,0,0]=3 2073 B12R1.125 CC(C)NCc1cccnc1O 207a_100138425928_100011998315 [0,0,0,0,0,1|2,0,0]=3 2074 B12R1.125 CC(C)NCc1ncccc1Br 207a_100138425928_100011934733 [0,0,0,0,0,1|2,0,0]=3 2075 B12R1.125 CC(C)NCc1ncccc1Br 2230a_100138425928_100025702911 [0,0,0,0,0,1|2,0,0]=3 2076 B12R1.125 CC(C)NCc1ncccc1Br 34a_100138425928_100025702911 [0,0,0,0,0,1|2,0,0]=3 2077 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,0,0,0,0,1|2,0,0]=3 2078 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,0,0,0,0,1|2,0,0]=3 2079 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,0,0,0,0,1|2,0,0]=3 2080 B12R1.125 CC(C)NCc1ncccc1F 207a_100138425928_100011934734 [0,0,0,0,0,1|2,0,0]=3 2081 B12R1.125 CC(C)NCc1ncccc1F 2230a_100138425928_100000104219 [0,0,0,0,0,1|2,0,0]=3 2082 B12R1.125 CC(C)NCc1ncccc1F 34a_100000690088_100000210206 [0,0,0,0,0,1|2,0,0]=3 2083 B12R1.125 CC(C)NCc1ncccc1F 34a_100138425928_100000104219 [0,0,0,0,0,1|2,0,0]=3 2084 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,0,0,0,0,1|2,0,0]=3 2085 B12R1.125 CC(C)NCc1nccnc1Cl 2230a_100000729963_100000210206 [0,0,0,0,0,1|1,0,0]=2 2086 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,0,0,0,0,1|3,0,0]=4 2087 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,0,0,0,0,1|3,0,0]=4 2088 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,0,0,0,0,1|3,0,0]=4 2089 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,0,0,0,0,1|3,0,0]=4 2090 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,0,0,0,0,1|3,0,0]=4 2091 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,0,0,0,0,1|3,0,0]=4 2092 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,0,0,0,0,1|3,0,0]=4 2093 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,0,0,0,0,1|3,0,0]=4 2094 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,0,0,0,0,1|3,0,0]=4 2095 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,0,0,0,0,1|3,0,0]=4 2096 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,0,0,0,0,1|3,0,0]=4 2097 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,0,0,0,0,1|3,0,0]=4 2098 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,0,0,0,0,1|3,0,0]=4 2099 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000212225_100010140945 [0,0,0,0,0,1|2,0,0]=3 2100 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000719692_100000210206 [0,0,0,0,0,1|2,0,0]=3 2101 B12R1.125 CC(C)OCc1cccnc1Br 7a_100000719692_100000210206 [0,0,0,0,0,1|2,0,0]=3 2102 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000212225_100000045678 [0,0,0,0,0,1|2,0,0]=3 2103 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000748726_100000210206 [0,0,0,0,0,1|2,0,0]=3 2104 B12R1.125 CC(C)OCc1cccnc1Cl 7a_100000748726_100000210206 [0,0,0,0,0,1|2,0,0]=3 2105 B12R1.125 CC(C)OCc1cccnc1F 34a_100000079888_100000210206 [0,0,0,0,0,1|2,0,0]=3 2106 B12R1.125 CC(C)OCc1cccnc1F 34a_100000212225_100000099810 [0,0,0,0,0,1|2,0,0]=3 2107 B12R1.125 CC(C)OCc1cccnc1F 7a_100000079888_100000210206 [0,0,0,0,0,1|2,0,0]=3 2108 B12R1.125 CC(C)OCc1ncccc1Br 34a_100000212225_100025702911 [0,0,0,0,0,1|2,0,0]=3 2109 B12R1.125 CC(C)OCc1ncccc1Br 34a_100011996772_100000210206 [0,0,0,0,0,1|2,0,0]=3 2110 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,0,0,0,0,1|2,0,0]=3 2111 B12R1.125 CC(C)OCc1ncccc1F 34a_100000212225_100000104219 [0,0,0,0,0,1|2,0,0]=3 2112 B12R1.125 CC(C)OCc1ncccc1F 34a_100011934865_100000210206 [0,0,0,0,0,1|2,0,0]=3 2113 B12R1.125 CC(C)OCc1ncccc1N 34a_114873767017_100000210206 [0,0,0,0,0,1|2,0,0]=3 2114 B12R1.125 CC(C)OCc1ncccc1O 34a_100000212225_200020655725 [0,0,0,0,0,1|2,0,0]=3 2115 B12R1.125 CC(C)OCc1nccnc1Cl 34a_100000057004_100000210206 [0,0,0,0,0,1|1,0,0]=2 2116 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,0,0,0,0,1|3,0,0]=4 2117 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,0,0,0,0,1|3,0,0]=4 2118 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,0,0,0,0,1|3,0,0]=4 2119 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,0,0,0,0,1|3,0,0]=4 2120 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,0,0,0,0,1|3,0,0]=4 2121 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,0,0,0,0,1|3,0,0]=4 2122 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,0,0,0,0,1|3,0,0]=4 2123 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,0,0,0,0,1|3,0,0]=4 2124 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,0,0,0,0,1|3,0,0]=4 2125 B12R1.125 CC(C)SCc1cccnc1Br 62a_100000210206_100010140945 [0,0,0,0,0,1|2,0,0]=3 2126 B12R1.125 CC(C)SCc1cccnc1Br 62a_100010140945_100000210206 [0,0,0,0,0,1|2,0,0]=3 2127 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000045678_100000210206 [0,0,0,0,0,1|2,0,0]=3 2128 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000210206_100000045678 [0,0,0,0,0,1|2,0,0]=3 2129 B12R1.125 CC(C)SCc1cccnc1F 62a_100000099810_100000210206 [0,0,0,0,0,1|2,0,0]=3 2130 B12R1.125 CC(C)SCc1cccnc1F 62a_100000210206_100000099810 [0,0,0,0,0,1|2,0,0]=3 2131 B12R1.125 CC(C)SCc1ncccc1Br 62a_100000210206_100025702911 [0,0,0,0,0,1|2,0,0]=3 2132 B12R1.125 CC(C)SCc1ncccc1Br 62a_100025702911_100000210206 [0,0,0,0,0,1|2,0,0]=3 2133 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,0,0,0,0,1|2,0,0]=3 2134 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,0,0,0,0,1|2,0,0]=3 2135 B12R1.125 CC(C)SCc1ncccc1F 62a_100000104219_100000210206 [0,0,0,0,0,1|2,0,0]=3 2136 B12R1.125 CC(C)SCc1ncccc1F 62a_100000210206_100000104219 [0,0,0,0,0,1|2,0,0]=3 2137 B12R1.125 CC(C)SCc1ncccc1O 62a_100000210206_200020655725 [0,0,0,0,0,1|2,0,0]=3 2138 B12R1.125 CC(C)SCc1ncccc1O 62a_200020655725_100000210206 [0,0,0,0,0,1|2,0,0]=3 2139 B12R1.125 CC(O)C=Cc1nccnc1F 271570a_200011019289_200010125657 [0,0,0,0,0,1|2,0,1]=4 2140 B12R1.125 CC(O)C=Cc1nccnc1N 271570a_200011019289_100000747729 [0,0,0,0,0,1|2,0,1]=4 2141 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,0,0,0,0,1|3,0,0]=4 2142 B12R1.125 CC(O)CNc1nccnc1F 27a_100000210904_200010125657 [0,0,0,0,0,1|2,0,0]=3 2143 B12R1.125 CC(O)COc1cccnc1Br 34a_100000744436_100011218427 [0,0,0,0,0,1|3,0,0]=4 2144 B12R1.125 CC(O)COc1cccnc1Br 7a_100000744436_100011218427 [0,0,0,0,0,1|3,0,0]=4 2145 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [0,0,0,0,0,1|3,0,0]=4 2146 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [0,0,0,0,0,1|3,0,0]=4 2147 B12R1.125 CC(O)COc1cccnc1F 34a_100000061740_100011218427 [0,0,0,0,0,1|3,0,0]=4 2148 B12R1.125 CC(O)COc1cccnc1F 7a_100000061740_100011218427 [0,0,0,0,0,1|3,0,0]=4 2149 B12R1.125 CC(O)COc1cccnc1I 34a_100000034122_100011218427 [0,0,0,0,0,1|3,0,0]=4 2150 B12R1.125 CC(O)COc1cccnc1I 7a_100000034122_100011218427 [0,0,0,0,0,1|3,0,0]=4 2151 B12R1.125 CC(O)COc1cccnc1N 34a_100000211975_100011218427 [0,0,0,0,0,1|3,0,0]=4 2152 B12R1.125 CC(O)COc1cccnc1N 7a_100000211975_100011218427 [0,0,0,0,0,1|3,0,0]=4 2153 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,0,0,0,0,1|3,0,0]=4 2154 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,0,0,0,0,1|3,0,0]=4 2155 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,0,0,0,0,1|3,0,0]=4 2156 B12R1.125 CC(O)CSc1cccnc1Br 62a_100010202626_100011218427 [0,0,0,0,0,1|3,0,0]=4 2157 B12R1.125 CC(O)CSc1cccnc1Br 62a_100011218427_100010202626 [0,0,0,0,0,1|3,0,0]=4 2158 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100000036424_100011218427 [0,0,0,0,0,1|3,0,0]=4 2159 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100011218427_100000036424 [0,0,0,0,0,1|3,0,0]=4 2160 B12R1.125 CC(O)CSc1cccnc1F 62a_100009816115_100011218427 [0,0,0,0,0,1|3,0,0]=4 2161 B12R1.125 CC(O)CSc1cccnc1F 62a_100011218427_100009816115 [0,0,0,0,0,1|3,0,0]=4 2162 B12R1.125 CC(O)CSc1cccnc1N 62a_100000045569_100011218427 [0,0,0,0,0,1|3,0,0]=4 2163 B12R1.125 CC(O)CSc1cccnc1N 62a_100011218427_100000045569 [0,0,0,0,0,1|3,0,0]=4 2164 B12R1.125 CC(O)CSc1cccnc1O 62a_100000760158_100011218427 [0,0,0,0,0,1|3,0,0]=4 2165 B12R1.125 CC(O)CSc1cccnc1O 62a_100011218427_100000760158 [0,0,0,0,0,1|3,0,0]=4 2166 B12R1.125 CC(O)CSc1ncc[nH]c1=O 62a_100011218427_100000763361 [0,0,0,0,0,1|2,0,1]=4 2167 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,0,0,0,0,1|3,0,0]=4 2168 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,0,0,0,0,1|3,0,0]=4 2169 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,0,0,0,0,1|3,0,0]=4 2170 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,0,0,0,0,1|3,0,0]=4 2171 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,0,0,0,0,1|3,0,0]=4 2172 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,0,0,0,0,1|3,0,0]=4 2173 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,0,0,0,0,1|3,0,0]=4 2174 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,0,0,0,0,1|3,0,0]=4 2175 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,0,0,0,0,1|3,0,0]=4 2176 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,0,0,0,0,1|3,0,0]=4 2177 B12R1.125 CC(O)CSc1nccnc1Cl 62a_100010886584_100011218427 [0,0,0,0,0,1|2,0,0]=3 2178 B12R1.125 CC(O)CSc1nccnc1Cl 62a_100011218427_100010886584 [0,0,0,0,0,1|2,0,0]=3 2179 B12R1.125 CC(O)CSc1nccnc1F 62a_100011218427_200010125657 [0,0,0,0,0,1|2,0,0]=3 2180 B12R1.125 CC(O)CSc1nccnc1F 62a_200010125657_100011218427 [0,0,0,0,0,1|2,0,0]=3 2181 B12R1.125 CC(O)CSc1nccnc1N 62a_100000747729_100011218427 [0,0,0,0,0,1|2,0,0]=3 2182 B12R1.125 CC(O)CSc1nccnc1N 62a_100011218427_100000747729 [0,0,0,0,0,1|2,0,0]=3 2183 B12R1.125 C[C@@H](O)COc1cccnc1Br 34a_100000744436_100009817552 [0,0,0,0,0,1|3,0,0]=4 2184 B12R1.125 C[C@@H](O)COc1cccnc1Br 7a_100000744436_100009817552 [0,0,0,0,0,1|3,0,0]=4 2185 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [0,0,0,0,0,1|3,0,0]=4 2186 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [0,0,0,0,0,1|3,0,0]=4 2187 B12R1.125 C[C@@H](O)COc1cccnc1F 34a_100000061740_100009817552 [0,0,0,0,0,1|3,0,0]=4 2188 B12R1.125 C[C@@H](O)COc1cccnc1F 7a_100000061740_100009817552 [0,0,0,0,0,1|3,0,0]=4 2189 B12R1.125 C[C@@H](O)COc1cccnc1I 34a_100000034122_100009817552 [0,0,0,0,0,1|3,0,0]=4 2190 B12R1.125 C[C@@H](O)COc1cccnc1I 7a_100000034122_100009817552 [0,0,0,0,0,1|3,0,0]=4 2191 B12R1.125 C[C@@H](O)COc1cccnc1N 34a_100000211975_100009817552 [0,0,0,0,0,1|3,0,0]=4 2192 B12R1.125 C[C@@H](O)COc1cccnc1N 7a_100000211975_100009817552 [0,0,0,0,0,1|3,0,0]=4 2193 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,0,0,0,0,1|3,0,0]=4 2194 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,0,0,0,0,1|3,0,0]=4 2195 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,0,0,0,0,1|3,0,0]=4 2196 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100009817552_100010202626 [0,0,0,0,0,1|3,0,0]=4 2197 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100010202626_100009817552 [0,0,0,0,0,1|3,0,0]=4 2198 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100000036424_100009817552 [0,0,0,0,0,1|3,0,0]=4 2199 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100009817552_100000036424 [0,0,0,0,0,1|3,0,0]=4 2200 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009816115_100009817552 [0,0,0,0,0,1|3,0,0]=4 2201 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009817552_100009816115 [0,0,0,0,0,1|3,0,0]=4 2202 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100000045569_100009817552 [0,0,0,0,0,1|3,0,0]=4 2203 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100009817552_100000045569 [0,0,0,0,0,1|3,0,0]=4 2204 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100000760158_100009817552 [0,0,0,0,0,1|3,0,0]=4 2205 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100009817552_100000760158 [0,0,0,0,0,1|3,0,0]=4 2206 B12R1.125 C[C@@H](O)CSc1ncc[nH]c1=O 62a_100009817552_100000763361 [0,0,0,0,0,1|2,0,1]=4 2207 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,0,0,0,0,1|3,0,0]=4 2208 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,0,0,0,0,1|3,0,0]=4 2209 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,0,0,0,0,1|3,0,0]=4 2210 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,0,0,0,0,1|3,0,0]=4 2211 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,0,0,0,0,1|3,0,0]=4 2212 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,0,0,0,0,1|3,0,0]=4 2213 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,0,0,0,0,1|3,0,0]=4 2214 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,0,0,0,0,1|3,0,0]=4 2215 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,0,0,0,0,1|3,0,0]=4 2216 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,0,0,0,0,1|3,0,0]=4 2217 B12R1.125 C[C@@H](O)CSc1nccnc1Cl 62a_100009817552_100010886584 [0,0,0,0,0,1|2,0,0]=3 2218 B12R1.125 C[C@@H](O)CSc1nccnc1Cl 62a_100010886584_100009817552 [0,0,0,0,0,1|2,0,0]=3 2219 B12R1.125 C[C@@H](O)CSc1nccnc1F 62a_100009817552_200010125657 [0,0,0,0,0,1|2,0,0]=3 2220 B12R1.125 C[C@@H](O)CSc1nccnc1F 62a_200010125657_100009817552 [0,0,0,0,0,1|2,0,0]=3 2221 B12R1.125 C[C@@H](O)CSc1nccnc1N 62a_100000747729_100009817552 [0,0,0,0,0,1|2,0,0]=3 2222 B12R1.125 C[C@@H](O)CSc1nccnc1N 62a_100009817552_100000747729 [0,0,0,0,0,1|2,0,0]=3 2223 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,0,0,0,0,1|2,0,1]=4 2224 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,0,0,0,0,1|3,0,0]=4 2225 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,0,0,0,0,1|3,0,0]=4 2226 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,0,0,0,0,1|2,0,0]=3 2227 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,0,0,0,0,1|2,0,0]=3 2228 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,0,0,0,0,1|2,0,0]=3 2229 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,0,0,0,0,1|2,0,0]=3 2230 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,0,0,0,0,1|2,0,0]=3 2231 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,0,0,0,0,1|2,0,0]=3 2232 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,0,0,0,0,1|2,0,0]=3 2233 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,0,0,0,0,1|2,0,0]=3 2234 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,0,0,0,0,1|2,0,0]=3 2235 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,0,0,0,0,1|2,0,0]=3 2236 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,0,0,0,0,1|3,0,0]=4 2237 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,0,0,0,0,1|3,0,0]=4 2238 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,0,0,0,0,1|2,0,0]=3 2239 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,0,0,0,0,1|2,0,0]=3 2240 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,0,0,0,0,1|3,0,0]=4 2241 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,0,0,0,0,1|3,0,0]=4 2242 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,0,0,0,0,1|3,0,0]=4 2243 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,0,0,0,0,1|3,0,0]=4 2244 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,0,0,0,0,1|2,0,0]=3 2245 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,0,0,0,0,1|2,0,0]=3 2246 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,0,0,0,0,1|3,0,0]=4 2247 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,0,0,0,0,1|3,0,0]=4 2248 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,0,0,0,0,1|3,0,0]=4 2249 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,0,0,0,0,1|3,0,0]=4 2250 B12R1.125 Cc1cccnc1C=CC(C)C 271570a_100016257149_100000751373 [0,0,0,0,0,1|1,0,1]=3 2251 B12R1.125 Cc1cccnc1C=CC(C)O 271570a_200011019289_100000751373 [0,0,0,0,0,1|2,0,1]=4 2252 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,0,0,0,0,1|1,0,0]=2 2253 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,0,0,0,0,1|1,0,0]=2 2254 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,0,0,0,0,1|1,0,0]=2 2255 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,0,0,0,0,1|1,0,0]=2 2256 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,0,0,0,0,1|1,0,0]=2 2257 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,0,0,0,0,1|1,0,0]=2 2258 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,0,0,0,0,1|1,0,0]=2 2259 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,0,0,0,0,1|1,0,0]=2 2260 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000210624_100000751373 [0,0,0,0,0,1|1,0,0]=2 2261 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000751373_100000210760 [0,0,0,0,0,1|1,0,0]=2 2262 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,0,0,0,0,1|2,0,0]=3 2263 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,0,0,0,0,1|2,0,0]=3 2264 B12R1.125 Cc1cccnc1SCC(F)F 62a_100000751373_100011934356 [0,0,0,0,0,1|3,0,0]=4 2265 B12R1.125 Cc1cccnc1SCC(F)F 62a_100011934356_100000751373 [0,0,0,0,0,1|3,0,0]=4 2266 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,0,0,0,0,1|2,0,0]=3 2267 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,0,0,0,0,1|2,0,0]=3 2268 B12R1.125 Cc1ccncc1CNC(C)C 207a_100138425928_100000685662 [0,0,0,0,0,1|3,0,0]=4 2269 B12R1.125 Cc1ccncc1CNC(C)C 2230a_100138425928_100000690890 [0,0,0,0,0,1|3,0,0]=4 2270 B12R1.125 Cc1ccncc1CNC(C)C 34a_100138425928_100000690890 [0,0,0,0,0,1|3,0,0]=4 2271 B12R1.125 Cc1ccncc1COC(C)C 34a_100000212225_100000690890 [0,0,0,0,0,1|3,0,0]=4 2272 B12R1.125 Cc1ccncc1COC(C)C 34a_100011996381_100000210206 [0,0,0,0,0,1|3,0,0]=4 2273 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000210206_100000690890 [0,0,0,0,0,1|3,0,0]=4 2274 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000690890_100000210206 [0,0,0,0,0,1|3,0,0]=4 2275 B12R1.125 Cc1ccncc1OCC(C)C 34a_100011997053_100000210624 [0,0,0,0,0,1|3,0,0]=4 2276 B12R1.125 Cc1ccncc1OCC(C)C 7a_100011997053_100000210760 [0,0,0,0,0,1|3,0,0]=4 2277 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000210624_100000761580 [0,0,0,0,0,1|3,0,0]=4 2278 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000761580_100000210760 [0,0,0,0,0,1|3,0,0]=4 2279 B12R1.125 Cc1ccnnc1C=CC(C)C 271570a_100016257149_100000089043 [0,0,0,0,0,1|2,0,1]=4 2280 B12R1.125 Cc1ccnnc1NCC(C)C 27a_100000210953_100000089043 [0,0,0,0,0,1|2,0,0]=3 2281 B12R1.125 Cc1ccnnc1NCC(C)O 27a_100000210904_100000089043 [0,0,0,0,0,1|3,0,0]=4 2282 B12R1.125 Cc1ccnnc1SCC(C)C 62a_100000210624_100000089043 [0,0,0,0,0,1|2,0,0]=3 2283 B12R1.125 Cc1ccnnc1SCC(C)O 62a_100011218427_100000089043 [0,0,0,0,0,1|3,0,0]=4 2284 B12R1.125 Cc1ccnnc1SC[C@@H](C)O 62a_100009817552_100000089043 [0,0,0,0,0,1|3,0,0]=4 2285 B12R1.125 Cc1cnccc1CNC(C)C 2230a_100138425928_100020672808 [0,0,0,0,0,1|3,0,0]=4 2286 B12R1.125 Cc1cnccc1CNC(C)C 34a_100138425928_100020672809 [0,0,0,0,0,1|3,0,0]=4 2287 B12R1.125 Cc1cnccc1COC(C)C 34a_100000212225_100020672809 [0,0,0,0,0,1|3,0,0]=4 2288 B12R1.125 Cc1cnccc1COC(C)C 34a_100011997032_100000210206 [0,0,0,0,0,1|3,0,0]=4 2289 B12R1.125 Cc1cnccc1CSC(C)C 62a_100000210206_100020672808 [0,0,0,0,0,1|3,0,0]=4 2290 B12R1.125 Cc1cnccc1CSC(C)C 62a_100020672808_100000210206 [0,0,0,0,0,1|3,0,0]=4 2291 B12R1.125 Cc1cnccc1NCC(C)C 27a_100000210953_100000765111 [0,0,0,0,0,1|3,0,0]=4 2292 B12R1.125 Cc1cnccc1OCC(C)C 34a_100000694293_100000210624 [0,0,0,0,0,1|3,0,0]=4 2293 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000210624_100000765111 [0,0,0,0,0,1|3,0,0]=4 2294 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000765111_100000210760 [0,0,0,0,0,1|3,0,0]=4 2295 B12R1.125 Cc1cncnc1C=CC(C)C 271570a_100016257149_100011998708 [0,0,0,0,0,1|2,0,1]=4 2296 B12R1.125 Cc1cncnc1NCC(C)C 27a_100000210953_100011998708 [0,0,0,0,0,1|2,0,0]=3 2297 B12R1.125 Cc1cncnc1NCC(C)O 27a_100000210904_100011998708 [0,0,0,0,0,1|3,0,0]=4 2298 B12R1.125 Cc1cncnc1SCC(C)C 62a_100000210624_100011998708 [0,0,0,0,0,1|2,0,0]=3 2299 B12R1.125 Cc1cncnc1SCC(C)C 62a_100011998708_100000210760 [0,0,0,0,0,1|2,0,0]=3 2300 B12R1.125 Cc1cncnc1SCC(C)O 62a_100011218427_100011998708 [0,0,0,0,0,1|3,0,0]=4 2301 B12R1.125 Cc1cncnc1SCC(C)O 62a_100011998708_100011218427 [0,0,0,0,0,1|3,0,0]=4 2302 B12R1.125 Cc1cncnc1SC[C@@H](C)O 62a_100009817552_100011998708 [0,0,0,0,0,1|3,0,0]=4 2303 B12R1.125 Cc1cncnc1SC[C@@H](C)O 62a_100011998708_100009817552 [0,0,0,0,0,1|3,0,0]=4 2304 B12R1.125 Cc1ncccc1C=CC(C)C 271570a_100016257149_100000751574 [0,0,0,0,0,1|1,0,1]=3 2305 B12R1.125 Cc1ncccc1C=CC(C)O 271570a_200011019289_100000751574 [0,0,0,0,0,1|2,0,1]=4 2306 B12R1.125 Cc1ncccc1CNC(C)C 207a_100138425928_100000751968 [0,0,0,0,0,1|1,0,0]=2 2307 B12R1.125 Cc1ncccc1CNC(C)C 2230a_100138425928_100000732876 [0,0,0,0,0,1|1,0,0]=2 2308 B12R1.125 Cc1ncccc1CNC(C)C 34a_100138425928_100000732876 [0,0,0,0,0,1|1,0,0]=2 2309 B12R1.125 Cc1ncccc1COC(C)C 34a_100000212225_100000732876 [0,0,0,0,0,1|1,0,0]=2 2310 B12R1.125 Cc1ncccc1COC(C)C 34a_100000729262_100000210206 [0,0,0,0,0,1|1,0,0]=2 2311 B12R1.125 Cc1ncccc1COC(C)C 7a_100000729262_100000210206 [0,0,0,0,0,1|1,0,0]=2 2312 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000210206_100000732876 [0,0,0,0,0,1|1,0,0]=2 2313 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000732876_100000210206 [0,0,0,0,0,1|1,0,0]=2 2314 B12R1.125 Cc1ncccc1OCC(C)C 34a_100000745507_100000210624 [0,0,0,0,0,1|1,0,0]=2 2315 B12R1.125 Cc1ncccc1OCC(C)C 7a_100000745507_100000210760 [0,0,0,0,0,1|1,0,0]=2 2316 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [0,0,0,0,0,1|2,0,0]=3 2317 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [0,0,0,0,0,1|2,0,0]=3 2318 B12R1.125 Cc1ncccc1OCC(F)F 34a_100000745507_100011934356 [0,0,0,0,0,1|3,0,0]=4 2319 B12R1.125 Cc1ncccc1OCC(F)F 7a_100000745507_100011934356 [0,0,0,0,0,1|3,0,0]=4 2320 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [0,0,0,0,0,1|2,0,0]=3 2321 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [0,0,0,0,0,1|2,0,0]=3 2322 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000210624_100000751574 [0,0,0,0,0,1|1,0,0]=2 2323 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000751574_100000210760 [0,0,0,0,0,1|1,0,0]=2 2324 B12R1.125 Cc1ncccc1SCC(C)O 62a_100000751574_100011218427 [0,0,0,0,0,1|2,0,0]=3 2325 B12R1.125 Cc1ncccc1SCC(C)O 62a_100011218427_100000751574 [0,0,0,0,0,1|2,0,0]=3 2326 B12R1.125 Cc1ncccc1SCC(F)F 62a_100000751574_100011934356 [0,0,0,0,0,1|3,0,0]=4 2327 B12R1.125 Cc1ncccc1SCC(F)F 62a_100011934356_100000751574 [0,0,0,0,0,1|3,0,0]=4 2328 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100000751574_100009817552 [0,0,0,0,0,1|2,0,0]=3 2329 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100009817552_100000751574 [0,0,0,0,0,1|2,0,0]=3 2330 B12R1.125 Cc1nccnc1C=CC(C)C 271570a_100016257149_100011999405 [0,0,0,0,0,1|0,0,1]=2 2331 B12R1.125 Cc1nccnc1C=CC(C)O 271570a_200011019289_100011999405 [0,0,0,0,0,1|1,0,1]=3 2332 B12R1.125 Cc1nccnc1CNC(C)C 2230a_100020641712_100000210206 [0,0,0,0,0,1|0,0,0]=1 2333 B12R1.125 Cc1nccnc1CNC(C)C 34a_100020641712_100000210206 [0,0,0,0,0,1|0,0,0]=1 2334 B12R1.125 Cc1nccnc1NCC(C)C 27a_100000210953_100011999405 [0,0,0,0,0,1|0,0,0]=1 2335 B12R1.125 Cc1nccnc1NCC(C)O 27a_100000210904_100011999405 [0,0,0,0,0,1|1,0,0]=2 2336 B12R1.125 Cc1nccnc1NCC(F)F 27a_100000765723_100011999405 [0,0,0,0,0,1|2,0,0]=3 2337 B12R1.125 Cc1nccnc1OCC(=O)N 34a_100000766352_100000187820 [0,0,0,0,0,1|2,0,1]=4 2338 B12R1.125 Cc1nccnc1OCC(=O)[O-] 34a_100000766352_100020667443 [0,0,0,0,0,1|2,0,1]=4 2339 B12R1.125 Cc1nccnc1OCC(C)C 34a_100000766352_100000210624 [0,0,0,0,0,1|0,0,0]=1 2340 B12R1.125 Cc1nccnc1OCC(C)O 34a_100000766352_100011218427 [0,0,0,0,0,1|1,0,0]=2 2341 B12R1.125 Cc1nccnc1OCC(F)F 34a_100000766352_100011934356 [0,0,0,0,0,1|2,0,0]=3 2342 B12R1.125 Cc1nccnc1OC[C@@H](C)O 34a_100000766352_100009817552 [0,0,0,0,0,1|1,0,0]=2 2343 B12R1.125 Cc1nccnc1OC[N+](=O)[O-] 34a_100000766352_100000761209 [0,0,0,0,0,1|3,0,0]=4 2344 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100000747473_100011999405 [0,0,0,0,0,1|2,0,1]=4 2345 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100011999405_100000747473 [0,0,0,0,0,1|2,0,1]=4 2346 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100011999405_100020667443 [0,0,0,0,0,1|2,0,1]=4 2347 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100020667443_100011999405 [0,0,0,0,0,1|2,0,1]=4 2348 B12R1.125 Cc1nccnc1SCC(C)C 62a_100000210624_100011999405 [0,0,0,0,0,1|0,0,0]=1 2349 B12R1.125 Cc1nccnc1SCC(C)C 62a_100011999405_100000210760 [0,0,0,0,0,1|0,0,0]=1 2350 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011218427_100011999405 [0,0,0,0,0,1|1,0,0]=2 2351 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011999405_100011218427 [0,0,0,0,0,1|1,0,0]=2 2352 B12R1.125 Cc1nccnc1SCC(F)F 62a_100011934356_100011999405 [0,0,0,0,0,1|2,0,0]=3 2353 B12R1.125 Cc1nccnc1SCC(F)F 62a_100011999405_100011934356 [0,0,0,0,0,1|2,0,0]=3 2354 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100009817552_100011999405 [0,0,0,0,0,1|1,0,0]=2 2355 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100011999405_100009817552 [0,0,0,0,0,1|1,0,0]=2 2356 B12R1.125 Cc1nccnc1SC[N+](=O)[O-] 62a_100011999405_100000761209 [0,0,0,0,0,1|3,0,0]=4 2357 B12R1.125 Cc1ncncc1C=CC(C)C 271570a_100016257149_100009819671 [0,0,0,0,0,1|2,0,1]=4 2358 B12R1.125 Cc1ncncc1SCC(C)C 62a_100000210624_100009819671 [0,0,0,0,0,1|2,0,0]=3 2359 B12R1.125 Cc1ncncc1SCC(C)C 62a_100009819671_100000210760 [0,0,0,0,0,1|2,0,0]=3 2360 B12R1.125 Cc1ncncc1SCC(C)O 62a_100009819671_100011218427 [0,0,0,0,0,1|3,0,0]=4 2361 B12R1.125 Cc1ncncc1SCC(C)O 62a_100011218427_100009819671 [0,0,0,0,0,1|3,0,0]=4 2362 B12R1.125 Cc1ncncc1SC[C@@H](C)O 62a_100009817552_100009819671 [0,0,0,0,0,1|3,0,0]=4 2363 B12R1.125 Cc1ncncc1SC[C@@H](C)O 62a_100009819671_100009817552 [0,0,0,0,0,1|3,0,0]=4 2364 B12R1.125 FC(F)CSc1nccnc1Cl 62a_100010886584_100011934356 [0,0,0,0,0,1|3,0,0]=4 2365 B12R1.125 FC(F)CSc1nccnc1Cl 62a_100011934356_100010886584 [0,0,0,0,0,1|3,0,0]=4 2366 B12R1.125 Fc1nccnc1NCC(F)F 27a_100000765723_200010125657 [0,0,0,0,0,1|3,0,0]=4 2367 B12R1.125 Fc1nccnc1SCC(F)F 62a_100011934356_200010125657 [0,0,0,0,0,1|3,0,0]=4 2368 B12R1.125 Fc1nccnc1SCC(F)F 62a_200010125657_100011934356 [0,0,0,0,0,1|3,0,0]=4 2369 B12R1.125 Nc1nccnc1SCC(F)F 62a_100000747729_100011934356 [0,0,0,0,0,1|3,0,0]=4 2370 B12R1.125 Nc1nccnc1SCC(F)F 62a_100011934356_100000747729 [0,0,0,0,0,1|3,0,0]=4 2371 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,0,1,0,0,0|2,0,0]=4 2372 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [1,0,1,0,0,0|1,0,1]=4 2373 B9R0.23 C=CC(C)C(=O)CC(C)C 1458a_100011216780_100000210624 [1,0,1,0,0,0|1,0,1]=4 2374 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [2,0,0,0,0,0|0,0,2]=4 2375 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [2,0,0,0,0,0|1,0,0]=3 2376 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 2377 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 2378 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 2379 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 2380 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 2381 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 2382 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [2,0,0,0,0,0|1,0,0]=3 2383 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [2,0,0,0,0,0|1,0,0]=3 2384 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 2385 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 2386 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 2387 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 2388 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 2389 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 2390 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 2391 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 2392 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 2393 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 2394 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [2,0,0,0,0,0|1,0,0]=3 2395 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [2,0,0,0,0,0|1,0,0]=3 2396 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [2,0,0,0,0,0|1,0,0]=3 2397 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [2,0,0,0,0,0|1,0,0]=3 2398 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 2399 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 2400 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [2,0,0,0,0,0|1,0,0]=3 2401 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 2402 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 2403 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 2404 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 2405 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [2,0,0,0,0,0|1,0,0]=3 2406 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [2,0,0,0,0,0|1,0,0]=3 2407 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [2,0,0,0,0,0|2,0,0]=4 2408 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [2,0,0,0,0,0|2,0,0]=4 2409 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 2410 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 2411 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 2412 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 2413 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [2,0,0,0,0,0|1,0,0]=3 2414 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [2,0,0,0,0,0|1,0,0]=3 2415 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [2,0,0,0,0,0|0,0,2]=4 2416 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|2,0,0]=4 2417 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [2,0,0,0,0,0|1,0,0]=3 2418 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [2,0,0,0,0,0|1,0,0]=3 2419 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [2,0,0,0,0,0|2,0,0]=4 2420 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [2,0,0,0,0,0|2,0,0]=4 2421 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2422 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2423 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [2,0,0,0,0,0|1,0,0]=3 2424 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|2,0,0]=4 2425 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [2,0,0,0,0,0|2,0,0]=4 2426 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [2,0,0,0,0,0|2,0,0]=4 2427 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [2,0,0,0,0,0|2,0,0]=4 2428 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [2,0,0,0,0,0|2,0,0]=4 2429 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [2,0,0,0,0,0|1,0,0]=3 2430 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [2,0,0,0,0,0|1,0,0]=3 2431 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [2,0,0,0,0,0|2,0,0]=4 2432 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [2,0,0,0,0,0|2,0,0]=4 2433 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [2,0,0,0,0,0|2,0,0]=4 2434 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [2,0,0,0,0,0|2,0,0]=4 2435 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [2,0,0,0,0,0|2,0,0]=4 2436 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [2,0,0,0,0,0|2,0,0]=4 2437 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [2,0,0,0,0,0|2,0,0]=4 2438 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [2,0,0,0,0,0|2,0,0]=4 2439 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2440 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2441 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [2,0,0,0,0,0|2,0,0]=4 2442 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [2,0,0,0,0,0|2,0,0]=4 2443 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [2,0,0,0,0,0|1,0,0]=3 2444 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [2,0,0,0,0,0|1,0,0]=3 2445 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [2,0,0,0,0,0|1,0,0]=3 2446 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [2,0,0,0,0,0|2,0,0]=4 2447 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [2,0,0,0,0,0|2,0,0]=4 2448 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [2,0,0,0,0,0|2,0,0]=4 2449 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [2,0,0,0,0,0|2,0,0]=4 2450 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [2,0,0,0,0,0|2,0,0]=4 2451 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [2,0,0,0,0,0|2,0,0]=4 2452 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [2,0,0,0,0,0|2,0,0]=4 2453 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [2,0,0,0,0,0|2,0,0]=4 2454 B11R1.13 CCNc1nccc(c1C)F 27a_100015525214_100009846374 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.13 CCOc1nccc(c1C)Br 34a_100009858498_100000210202 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.13 CCSc1nccc(c1C)C 62a_100000210202_100009847204 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.13 CCSc1nccc(c1C)C 62a_100009847204_100000210202 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.13 CCSc1nccc(c1C)F 62a_100000210202_100009846374 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.13 CCSc1nccc(c1C)F 62a_100009846374_100000210202 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.13 CCSc1nccc(c1C)N 62a_100000210202_100000690622 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.13 CCSc1nccc(c1C)N 62a_100000690622_100000210202 [1,1,0,0,0,0|2,0,0]=4 2462 B11R1.13 CNCc1nccc(c1C)Cl 2230a_106832991635_100020614443 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.13 CNCc1nccc(c1C)Cl 34a_100102657272_100020614443 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.13 CNCc1nccc(c1C)Cl 7a_106832991635_100020614443 [1,1,0,0,0,0|2,0,0]=4 2465 B11R1.13 COCc1nccc(c1C)Cl 34a_100138415774_100020614443 [1,1,0,0,0,0|2,0,0]=4 2466 B11R1.13 CSCc1nccc(c1C)Cl 62a_100020614443_200000210301 [1,1,0,0,0,0|2,0,0]=4 2467 B11R1.13 CSCc1nccc(c1C)Cl 62a_200000210301_100020614443 [1,1,0,0,0,0|2,0,0]=4 2468 B11R1.13 Cc1c(ccnc1CS[13CH3])Cl 62a_100020614443_200025704644 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.13 Cc1c(ccnc1CS[13CH3])Cl 62a_200025704644_100020614443 [1,1,0,0,0,0|2,0,0]=4 2470 B11R1.17 C#CCNc1nccnc1C 27a_100000212058_100011999405 [1,1,0,0,0,0|0,0,2]=4 2471 B11R1.17 C#CCOc1nccnc1C 34a_100000766352_100000184674 [1,1,0,0,0,0|0,0,2]=4 2472 B11R1.17 C#CCSc1nccnc1C 62a_100000038162_100011999405 [1,1,0,0,0,0|0,0,2]=4 2473 B11R1.17 C=CCNc1nccnc1C 27a_100020586998_100011999405 [1,1,0,0,0,0|0,0,2]=4 2474 B11R1.17 C=CCOc1nccnc1C 34a_100000766352_100015514636 [1,1,0,0,0,0|0,0,2]=4 2475 B11R1.17 C=CCSc1nccnc1C 62a_100000210623_100011999405 [1,1,0,0,0,0|0,0,2]=4 2476 B11R1.17 C=CCSc1nccnc1C 62a_100011999405_100000210623 [1,1,0,0,0,0|0,0,2]=4 2477 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|2,0,0]=4 2479 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|1,0,0]=3 2480 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|2,0,0]=4 2483 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [1,1,0,0,0,0|2,0,0]=4 2484 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [1,1,0,0,0,0|1,0,1]=4 2485 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|2,0,0]=4 2486 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|1,0,0]=3 2487 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|2,0,0]=4 2488 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|2,0,0]=4 2489 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|2,0,0]=4 2490 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|2,0,0]=4 2491 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [1,1,0,0,0,0|0,0,0]=2 2492 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [1,1,0,0,0,0|1,0,0]=3 2493 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [1,1,0,0,0,0|1,0,0]=3 2494 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [1,1,0,0,0,0|2,0,0]=4 2495 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [1,1,0,0,0,0|2,0,0]=4 2496 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 2497 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 2498 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 2499 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [1,1,0,0,0,0|1,0,0]=3 2502 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [1,1,0,0,0,0|1,0,0]=3 2503 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 2504 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 2505 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 2506 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 2508 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 2509 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 2510 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 2511 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [1,1,0,0,0,0|2,0,0]=4 2512 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [1,1,0,0,0,0|2,0,0]=4 2513 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|2,0,0]=4 2515 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [1,1,0,0,0,0|0,0,0]=2 2516 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 2517 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 2518 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [1,1,0,0,0,0|2,0,0]=4 2519 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [1,1,0,0,0,0|2,0,0]=4 2520 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [1,1,0,0,0,0|1,0,0]=3 2521 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [1,1,0,0,0,0|1,0,0]=3 2522 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [1,1,0,0,0,0|2,0,0]=4 2523 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [1,1,0,0,0,0|2,0,0]=4 2524 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [1,1,0,0,0,0|2,0,0]=4 2525 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [1,1,0,0,0,0|2,0,0]=4 2526 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [1,1,0,0,0,0|2,0,0]=4 2527 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [1,1,0,0,0,0|2,0,0]=4 2528 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [1,1,0,0,0,0|2,0,0]=4 2529 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [1,1,0,0,0,0|2,0,0]=4 2530 B11R1.17 CCCSc1cncnc1C 62a_100000210303_100009819671 [1,1,0,0,0,0|2,0,0]=4 2531 B11R1.17 CCCSc1cncnc1C 62a_100009819671_100000210303 [1,1,0,0,0,0|2,0,0]=4 2532 B11R1.17 CCCSc1ncc[nH]c1=O 62a_100000210303_100000763361 [1,1,0,0,0,0|1,0,1]=4 2533 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [1,1,0,0,0,0|1,0,0]=3 2536 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [1,1,0,0,0,0|1,0,0]=3 2537 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [1,1,0,0,0,0|2,0,0]=4 2538 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [1,1,0,0,0,0|2,0,0]=4 2539 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [1,1,0,0,0,0|2,0,0]=4 2540 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [1,1,0,0,0,0|2,0,0]=4 2541 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [1,1,0,0,0,0|2,0,0]=4 2542 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [1,1,0,0,0,0|2,0,0]=4 2543 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 2544 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [1,1,0,0,0,0|2,0,0]=4 2545 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [1,1,0,0,0,0|0,0,0]=2 2546 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [1,1,0,0,0,0|0,0,0]=2 2547 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [1,1,0,0,0,0|1,0,0]=3 2548 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [1,1,0,0,0,0|1,0,0]=3 2549 B11R1.17 CCCSc1nccnc1F 62a_100000210303_200010125657 [1,1,0,0,0,0|1,0,0]=3 2550 B11R1.17 CCCSc1nccnc1F 62a_200010125657_100000210303 [1,1,0,0,0,0|1,0,0]=3 2551 B11R1.17 CCCSc1nccnc1N 62a_100000210303_100000747729 [1,1,0,0,0,0|1,0,0]=3 2552 B11R1.17 CCCSc1nccnc1N 62a_100000747729_100000210303 [1,1,0,0,0,0|1,0,0]=3 2553 B11R1.17 CCCSc1ncncc1C 62a_100000210303_100011998708 [1,1,0,0,0,0|2,0,0]=4 2554 B11R1.17 CCCSc1ncncc1C 62a_100011998708_100000210303 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.17 CCCSc1nnccc1C 62a_100000210303_100000089043 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2557 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 2558 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2559 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2560 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [1,1,0,0,0,0|2,0,0]=4 2561 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [1,1,0,0,0,0|2,0,0]=4 2562 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [1,1,0,0,0,0|2,0,0]=4 2563 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [1,1,0,0,0,0|1,0,0]=3 2564 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [1,1,0,0,0,0|1,0,0]=3 2565 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [1,1,0,0,0,0|1,0,0]=3 2566 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 2567 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [1,1,0,0,0,0|2,0,0]=4 2568 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 2569 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [1,1,0,0,0,0|2,0,0]=4 2570 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [1,1,0,0,0,0|2,0,0]=4 2571 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 2572 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 2573 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [1,1,0,0,0,0|2,0,0]=4 2574 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [1,1,0,0,0,0|2,0,0]=4 2576 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [1,1,0,0,0,0|1,0,0]=3 2577 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [1,1,0,0,0,0|1,0,0]=3 2578 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [1,1,0,0,0,0|1,0,0]=3 2579 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [1,1,0,0,0,0|1,0,0]=3 2580 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [1,1,0,0,0,0|2,0,0]=4 2581 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [1,1,0,0,0,0|2,0,0]=4 2582 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [1,1,0,0,0,0|2,0,0]=4 2583 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [1,1,0,0,0,0|2,0,0]=4 2587 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [1,1,0,0,0,0|2,0,0]=4 2588 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [1,1,0,0,0,0|0,0,0]=2 2589 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [1,1,0,0,0,0|0,0,0]=2 2590 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [1,1,0,0,0,0|0,0,0]=2 2591 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [1,1,0,0,0,0|1,0,0]=3 2592 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2593 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 2594 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2595 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 2596 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [1,1,0,0,0,0|2,0,0]=4 2597 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 2598 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [1,1,0,0,0,0|1,0,0]=3 2599 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [1,1,0,0,0,0|1,0,0]=3 2600 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [1,1,0,0,0,0|1,0,0]=3 2601 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 2602 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [1,1,0,0,0,0|2,0,0]=4 2603 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 2604 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 2605 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [1,1,0,0,0,0|2,0,0]=4 2606 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 2607 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [1,1,0,0,0,0|2,0,0]=4 2608 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [1,1,0,0,0,0|2,0,0]=4 2609 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|1,0,0]=3 2610 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|1,0,0]=3 2611 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [1,1,0,0,0,0|2,0,0]=4 2612 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [1,1,0,0,0,0|2,0,0]=4 2613 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [1,1,0,0,0,0|2,0,0]=4 2614 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2615 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|2,0,0]=4 2616 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [1,1,0,0,0,0|1,0,0]=3 2617 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 2618 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 2619 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [1,1,0,0,0,0|2,0,0]=4 2620 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [1,1,0,0,0,0|2,0,0]=4 2621 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [1,1,0,0,0,0|1,0,0]=3 2622 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [1,1,0,0,0,0|1,0,0]=3 2623 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [1,1,0,0,0,0|2,0,0]=4 2624 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [1,1,0,0,0,0|2,0,0]=4 2625 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [1,1,0,0,0,0|2,0,0]=4 2626 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [1,1,0,0,0,0|2,0,0]=4 2627 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [1,1,0,0,0,0|2,0,0]=4 2628 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [1,1,0,0,0,0|2,0,0]=4 2629 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [1,1,0,0,0,0|1,0,0]=3 2630 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [1,1,0,0,0,0|1,0,0]=3 2631 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [1,1,0,0,0,0|2,0,0]=4 2632 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [1,1,0,0,0,0|2,0,0]=4 2633 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [1,1,0,0,0,0|2,0,0]=4 2634 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [1,1,0,0,0,0|2,0,0]=4 2635 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 2639 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2640 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2643 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|2,0,0]=4 2644 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2645 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|1,0,0]=3 2646 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|1,0,0]=3 2647 B11R1.17 COCSc1cccnc1C 62a_100000751574_100000766300 [1,1,0,0,0,0|2,0,0]=4 2648 B11R1.17 COCSc1cccnc1C 62a_100000766300_100000751574 [1,1,0,0,0,0|2,0,0]=4 2649 B11R1.17 COCSc1ncccc1C 62a_100000751373_100000766300 [1,1,0,0,0,0|2,0,0]=4 2650 B11R1.17 COCSc1ncccc1C 62a_100000766300_100000751373 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.17 COCSc1nccnc1C 62a_100000766300_100011999405 [1,1,0,0,0,0|1,0,0]=3 2652 B11R1.17 COCSc1nccnc1C 62a_100011999405_100000766300 [1,1,0,0,0,0|1,0,0]=3 2653 B11R1.17 COCSc1nccnc1Cl 62a_100000766300_100010886584 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.17 COCSc1nccnc1Cl 62a_100010886584_100000766300 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.17 COCSc1nccnc1F 62a_100000766300_200010125657 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.17 COCSc1nccnc1F 62a_200010125657_100000766300 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.17 COCSc1nccnc1N 62a_100000747729_100000766300 [1,1,0,0,0,0|2,0,0]=4 2658 B11R1.17 COCSc1nccnc1N 62a_100000766300_100000747729 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.17 CSCOc1cccnc1C 34a_100000745507_100011218213 [1,1,0,0,0,0|2,0,0]=4 2662 B11R1.17 CSCOc1nccnc1C 34a_100000766352_100011218213 [1,1,0,0,0,0|1,0,0]=3 2663 B11R1.17 CSCSc1cccnc1C 62a_100000751574_100011218213 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.17 CSCSc1cccnc1C 62a_100011218213_100000751574 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.17 CSCSc1ncccc1C 62a_100000751373_100011218213 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.17 CSCSc1ncccc1C 62a_100011218213_100000751373 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.17 CSCSc1nccnc1C 62a_100011218213_100011999405 [1,1,0,0,0,0|1,0,0]=3 2668 B11R1.17 CSCSc1nccnc1C 62a_100011999405_100011218213 [1,1,0,0,0,0|1,0,0]=3 2669 B11R1.17 CSCSc1nccnc1Cl 62a_100010886584_100011218213 [1,1,0,0,0,0|2,0,0]=4 2670 B11R1.17 CSCSc1nccnc1Cl 62a_100011218213_100010886584 [1,1,0,0,0,0|2,0,0]=4 2671 B11R1.17 CSCSc1nccnc1F 62a_100011218213_200010125657 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.17 CSCSc1nccnc1F 62a_200010125657_100011218213 [1,1,0,0,0,0|2,0,0]=4 2673 B11R1.17 CSCSc1nccnc1N 62a_100000747729_100011218213 [1,1,0,0,0,0|2,0,0]=4 2674 B11R1.17 CSCSc1nccnc1N 62a_100011218213_100000747729 [1,1,0,0,0,0|2,0,0]=4 2675 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2676 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2677 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2678 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2679 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|2,0,0]=4 2680 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|2,0,0]=4 2681 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|1,0,0]=3 2682 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|1,0,0]=3 2683 B11R1.17 Cc1cccnc1CNCF 34a_100011223789_100015361967 [1,1,0,0,0,0|2,0,0]=4 2684 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [1,1,0,0,0,0|2,0,0]=4 2685 B11R1.17 Cc1cccnc1CSCF 62a_100000696600_100015361967 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.17 Cc1cccnc1CSCF 62a_100015361967_100000696600 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|2,0,0]=4 2691 B11R1.17 Cc1ncccc1COCF 34a_100000729262_100015361967 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.17 Cc1ncccc1COCF 7a_100000729262_100015361967 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.17 Cc1ncccc1CSCF 62a_100000732876_100015361967 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.17 Cc1ncccc1CSCF 62a_100015361967_100000732876 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 2698 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 2699 B11R1.17 Cc1ncccc1SCCF 62a_100000751574_100011217306 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.17 Cc1ncccc1SCCF 62a_100011217306_100000751574 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.17 Cc1nccnc1CNCF 34a_100020641712_100015361967 [1,1,0,0,0,0|1,0,0]=3 2704 B11R1.17 Cc1nccnc1NCCO 27a_100000210304_100011999405 [1,1,0,0,0,0|1,0,0]=3 2705 B11R1.17 Cc1nccnc1OCC=O 34a_100000766352_200009817547 [1,1,0,0,0,0|1,0,1]=4 2706 B11R1.17 Cc1nccnc1OCCF 34a_100000766352_100011217306 [1,1,0,0,0,0|1,0,0]=3 2707 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [1,1,0,0,0,0|1,0,0]=3 2708 B11R1.17 Cc1nccnc1SCC#N 62a_100011215382_100011999405 [1,1,0,0,0,0|1,0,1]=4 2709 B11R1.17 Cc1nccnc1SCC#N 62a_100011999405_100011215382 [1,1,0,0,0,0|1,0,1]=4 2710 B11R1.17 Cc1nccnc1SCC=O 62a_100011999405_200015260668 [1,1,0,0,0,0|1,0,1]=4 2711 B11R1.17 Cc1nccnc1SCC=O 62a_200015260668_100011999405 [1,1,0,0,0,0|1,0,1]=4 2712 B11R1.17 Cc1nccnc1SCCF 62a_100011217306_100011999405 [1,1,0,0,0,0|1,0,0]=3 2713 B11R1.17 Cc1nccnc1SCCF 62a_100011999405_100011217306 [1,1,0,0,0,0|1,0,0]=3 2714 B11R1.17 Cc1nccnc1SCCO 62a_100000211926_100011999405 [1,1,0,0,0,0|1,0,0]=3 2715 B11R1.17 Cc1nccnc1SCCO 62a_100011999405_100000211926 [1,1,0,0,0,0|1,0,0]=3 2716 B11R1.17 FCCSc1nccnc1Cl 62a_100010886584_100011217306 [1,1,0,0,0,0|2,0,0]=4 2717 B11R1.17 FCCSc1nccnc1Cl 62a_100011217306_100010886584 [1,1,0,0,0,0|2,0,0]=4 2718 B11R1.17 FCCSc1nccnc1F 62a_100011217306_200010125657 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.17 FCCSc1nccnc1F 62a_200010125657_100011217306 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.17 FCOCc1nccnc1Cl 34a_100000057004_100015361967 [1,1,0,0,0,0|2,0,0]=4 2721 B11R1.17 Nc1nccnc1SCCF 62a_100000747729_100011217306 [1,1,0,0,0,0|2,0,0]=4 2722 B11R1.17 Nc1nccnc1SCCF 62a_100011217306_100000747729 [1,1,0,0,0,0|2,0,0]=4 2723 B11R1.17 Nc1nccnc1SCCO 62a_100000211926_100000747729 [1,1,0,0,0,0|2,0,0]=4 2724 B11R1.17 Nc1nccnc1SCCO 62a_100000747729_100000211926 [1,1,0,0,0,0|2,0,0]=4 2725 B11R1.17 OCCNc1nccnc1F 27a_100000210304_200010125657 [1,1,0,0,0,0|2,0,0]=4 2726 B11R1.17 OCCNc1nccnc1O 271570a_203496583355_200011219046 [1,1,0,0,0,0|2,0,0]=4 2727 B11R1.17 OCCSc1nccnc1Cl 62a_100000211926_100010886584 [1,1,0,0,0,0|2,0,0]=4 2728 B11R1.17 OCCSc1nccnc1Cl 62a_100010886584_100000211926 [1,1,0,0,0,0|2,0,0]=4 2729 B11R1.17 OCCSc1nccnc1F 62a_100000211926_200010125657 [1,1,0,0,0,0|2,0,0]=4 2730 B11R1.17 OCCSc1nccnc1F 62a_200010125657_100000211926 [1,1,0,0,0,0|2,0,0]=4 2731 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [1,1,0,0,0,0|0,0,2]=4 2733 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [1,1,0,0,0,0|0,0,2]=4 2734 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [1,1,0,0,0,0|0,0,2]=4 2735 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [1,1,0,0,0,0|0,0,2]=4 2736 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,1,0,0,0,0|0,0,2]=4 2737 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [1,1,0,0,0,0|2,0,0]=4 2738 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [1,1,0,0,0,0|2,0,0]=4 2739 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [1,1,0,0,0,0|2,0,0]=4 2740 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [1,1,0,0,0,0|2,0,0]=4 2741 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [1,1,0,0,0,0|2,0,0]=4 2742 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [1,1,0,0,0,0|2,0,0]=4 2743 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,1,0,0,0,0|2,0,0]=4 2744 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,1,0,0,0,0|2,0,0]=4 2745 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,1,0,0,0,0|2,0,0]=4 2746 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,1,0,0,0,0|2,0,0]=4 2747 B11R1.41 CCCc1ncncc1NC 27a_100102657272_100009816987 [1,1,0,0,0,0|2,0,0]=4 2748 B11R1.41 CCCc1ncncc1SC 62a_100009816987_200000210301 [1,1,0,0,0,0|2,0,0]=4 2749 B11R1.41 CCCc1ncncc1SC 62a_200000210301_100009816987 [1,1,0,0,0,0|2,0,0]=4 2750 B11R1.41 CCCc1ncncc1S[13CH3] 62a_100009816987_200025704644 [1,1,0,0,0,0|2,0,0]=4 2751 B11R1.41 CCCc1ncncc1S[13CH3] 62a_200025704644_100009816987 [1,1,0,0,0,0|2,0,0]=4 2752 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [1,1,0,0,0,0|1,0,1]=4 2753 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [1,1,0,0,0,0|1,0,0]=3 2754 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [1,1,0,0,0,0|1,0,0]=3 2755 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2756 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2757 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [1,1,0,0,0,0|2,0,0]=4 2758 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,1,0,0,0,0|2,0,0]=4 2759 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,1,0,0,0,0|2,0,0]=4 2760 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [1,1,0,0,0,0|2,0,0]=4 2761 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [1,1,0,0,0,0|2,0,0]=4 2762 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [1,1,0,0,0,0|2,0,0]=4 2763 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [1,1,0,0,0,0|2,0,0]=4 2764 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,1,0,0,0,0|2,0,0]=4 2765 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,1,0,0,0,0|2,0,0]=4 2766 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,1,0,0,0,0|2,0,0]=4 2767 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [1,1,0,0,0,0|2,0,0]=4 2768 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [1,1,0,0,0,0|2,0,0]=4 2769 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [1,1,0,0,0,0|2,0,0]=4 2770 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [1,1,0,0,0,0|2,0,0]=4 2771 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [1,1,0,0,0,0|1,0,0]=3 2772 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [1,1,0,0,0,0|1,0,0]=3 2773 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [1,1,0,0,0,0|1,0,0]=3 2774 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [1,1,0,0,0,0|1,0,0]=3 2775 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [1,1,0,0,0,0|1,0,0]=3 2776 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [1,1,0,0,0,0|2,0,0]=4 2777 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [1,1,0,0,0,0|2,0,0]=4 2778 B11R1.41 CCSc1cccnc1CN 62a_100000210202_100020591323 [1,1,0,0,0,0|2,0,0]=4 2779 B11R1.41 CCSc1cccnc1CN 62a_100020591323_100000210202 [1,1,0,0,0,0|2,0,0]=4 2780 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [1,1,0,0,0,0|2,0,0]=4 2781 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [1,1,0,0,0,0|2,0,0]=4 2782 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [1,1,0,0,0,0|2,0,0]=4 2783 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [1,1,0,0,0,0|2,0,0]=4 2785 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [1,1,0,0,0,0|2,0,0]=4 2786 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [1,1,0,0,0,0|2,0,0]=4 2787 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [1,1,0,0,0,0|2,0,0]=4 2788 B11R1.41 CCSc1ncccc1CN 62a_100000210202_100015189234 [1,1,0,0,0,0|2,0,0]=4 2789 B11R1.41 CCSc1ncccc1CN 62a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 2790 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [1,1,0,0,0,0|2,0,0]=4 2791 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 2792 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [1,1,0,0,0,0|2,0,0]=4 2793 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [1,1,0,0,0,0|2,0,0]=4 2794 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [1,1,0,0,0,0|2,0,0]=4 2795 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [1,1,0,0,0,0|1,0,1]=4 2796 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [1,1,0,0,0,0|1,0,1]=4 2797 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [1,1,0,0,0,0|1,0,1]=4 2798 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [1,1,0,0,0,0|1,0,0]=3 2799 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [1,1,0,0,0,0|1,0,0]=3 2800 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [1,1,0,0,0,0|1,0,0]=3 2801 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [1,1,0,0,0,0|1,0,0]=3 2802 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [1,1,0,0,0,0|1,0,0]=3 2803 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [1,1,0,0,0,0|1,0,0]=3 2804 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [1,1,0,0,0,0|1,0,0]=3 2805 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [1,1,0,0,0,0|2,0,0]=4 2806 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [1,1,0,0,0,0|1,0,0]=3 2807 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [1,1,0,0,0,0|1,0,0]=3 2808 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [1,1,0,0,0,0|2,0,0]=4 2809 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [1,1,0,0,0,0|2,0,0]=4 2810 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [1,1,0,0,0,0|2,0,0]=4 2811 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [1,1,0,0,0,0|2,0,0]=4 2812 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [1,1,0,0,0,0|2,0,0]=4 2813 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [1,1,0,0,0,0|2,0,0]=4 2814 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [1,1,0,0,0,0|2,0,0]=4 2815 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [1,1,0,0,0,0|2,0,0]=4 2816 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [1,1,0,0,0,0|2,0,0]=4 2817 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [1,1,0,0,0,0|2,0,0]=4 2818 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [1,1,0,0,0,0|2,0,0]=4 2819 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [1,1,0,0,0,0|2,0,0]=4 2820 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [1,1,0,0,0,0|2,0,0]=4 2821 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [1,1,0,0,0,0|2,0,0]=4 2822 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [1,1,0,0,0,0|2,0,0]=4 2825 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [1,1,0,0,0,0|2,0,0]=4 2826 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [1,1,0,0,0,0|2,0,0]=4 2829 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [1,1,0,0,0,0|2,0,0]=4 2833 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [1,1,0,0,0,0|2,0,0]=4 2834 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [1,1,0,0,0,0|2,0,0]=4 2835 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.81 CC=Cc1ncc(nc1C)C 271570a_100016259895_100000065684 [1,1,0,0,0,0|0,0,2]=4 2838 B11R1.81 CC=Cc1ncc(nc1C)N 271570a_100016259895_100009818570 [1,1,0,0,0,0|0,0,2]=4 2839 B11R1.81 CCOc1ccc(nc1C)Br 34a_100012002022_100000210202 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.81 CCOc1ccc(nc1C)Br 7a_100012002022_100000210202 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.81 CCOc1ccc(nc1C)C 34a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.81 CCOc1ccc(nc1C)C 7a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 2843 B11R1.81 CCOc1ccc(nc1C)Cl 34a_100012184626_100000210202 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.81 CCOc1ccc(nc1C)Cl 7a_100012184626_100000210202 [1,1,0,0,0,0|2,0,0]=4 2845 B11R1.81 CCOc1ccc(nc1C)F 34a_100009881036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2846 B11R1.81 CCOc1ccc(nc1C)F 7a_100009881036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2847 B11R1.81 CCOc1ccc(nc1C)I 34a_100010233687_100000210202 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.81 CCOc1ccc(nc1C)I 7a_100010233687_100000210202 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.81 CCOc1ncc(cc1C)Br 34a_100000685391_100000210202 [1,1,0,0,0,0|2,0,0]=4 2850 B11R1.81 CCOc1ncc(cc1C)O 271570a_203496583355_100012351028 [1,1,0,0,0,0|2,0,0]=4 2851 B11R1.81 CCOc1ncc(nc1Cl)Br 34a_100010734560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2852 B11R1.81 CCSc1ccc(nc1C)C 62a_100000210202_100009813853 [1,1,0,0,0,0|2,0,0]=4 2853 B11R1.81 CCSc1ccc(nc1C)C 62a_100009813853_100000210202 [1,1,0,0,0,0|2,0,0]=4 2854 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000062408_100000210202 [1,1,0,0,0,0|2,0,0]=4 2855 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000210202_100000062408 [1,1,0,0,0,0|2,0,0]=4 2856 B11R1.81 CCSc1ccc(nc1C)F 62a_100000210202_100000688911 [1,1,0,0,0,0|2,0,0]=4 2857 B11R1.81 CCSc1ccc(nc1C)F 62a_100000688911_100000210202 [1,1,0,0,0,0|2,0,0]=4 2858 B11R1.81 CCSc1ccc(nc1C)N 62a_100000187202_100000210202 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.81 CCSc1ccc(nc1C)N 62a_100000210202_100000187202 [1,1,0,0,0,0|2,0,0]=4 2860 B11R1.81 CCSc1ccc(nc1C)O 62a_100000210202_100000691680 [1,1,0,0,0,0|2,0,0]=4 2861 B11R1.81 CCSc1ccc(nc1C)O 62a_100000691680_100000210202 [1,1,0,0,0,0|2,0,0]=4 2862 B11R1.81 CCSc1ncc(cc1C)Br 62a_100000210202_100012353652 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.81 CCSc1ncc(cc1C)Br 62a_100012353652_100000210202 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.81 CCSc1ncc(cc1C)C 62a_100000210202_100009864548 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.81 CCSc1ncc(cc1C)C 62a_100009864548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2866 B11R1.81 CCSc1ncc(cc1C)F 62a_100000210202_100009817009 [1,1,0,0,0,0|2,0,0]=4 2867 B11R1.81 CCSc1ncc(cc1C)F 62a_100009817009_100000210202 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.81 CCSc1ncc(cc1C)N 62a_100000210202_100000761747 [1,1,0,0,0,0|2,0,0]=4 2869 B11R1.81 CCSc1ncc(cc1C)N 62a_100000761747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2870 B11R1.81 CCSc1ncc(cc1C)O 62a_100000210202_100012000486 [1,1,0,0,0,0|2,0,0]=4 2871 B11R1.81 CCSc1ncc(cc1C)O 62a_100012000486_100000210202 [1,1,0,0,0,0|2,0,0]=4 2872 B11R1.81 CCSc1ncc(nc1Br)Br 62a_100000210202_100010235571 [1,1,0,0,0,0|2,0,0]=4 2873 B11R1.81 CCSc1ncc(nc1Br)Br 62a_100010235571_100000210202 [1,1,0,0,0,0|2,0,0]=4 2874 B11R1.81 CCSc1ncc(nc1C)C 62a_100000065684_100000210202 [1,1,0,0,0,0|1,0,0]=3 2875 B11R1.81 CCSc1ncc(nc1C)C 62a_100000210202_100000065684 [1,1,0,0,0,0|1,0,0]=3 2876 B11R1.81 CCSc1ncc(nc1C)N 62a_100000210202_100009818570 [1,1,0,0,0,0|1,0,0]=3 2877 B11R1.81 CCSc1ncc(nc1C)N 62a_100009818570_100000210202 [1,1,0,0,0,0|1,0,0]=3 2878 B11R1.81 CCSc1ncc(nc1Cl)Cl 62a_100000210202_100010173851 [1,1,0,0,0,0|2,0,0]=4 2879 B11R1.81 CCSc1ncc(nc1Cl)N 62a_100000210202_100010116657 [1,1,0,0,0,0|2,0,0]=4 2880 B11R1.81 CCSc1ncc(nc1Cl)N 62a_100010116657_100000210202 [1,1,0,0,0,0|2,0,0]=4 2881 B11R1.81 CNCc1ccc(nc1C)C 207a_100102657272_100011794427 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.81 CNCc1ccc(nc1C)C 270004a_106832991635_100011794427 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.81 CNCc1ncc(cc1C)Br 207a_100102657272_100010185443 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.81 CNCc1ncc(cc1C)Br 270004a_106832991635_100010185443 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.81 CNCc1ncc(cc1C)C 2230a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.81 CNCc1ncc(cc1C)C 34a_100102657272_100016990036 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.81 CNCc1ncc(cc1C)C 7a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.81 CNCc1ncc(cc1C)Cl 207a_100102657272_200009887756 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.81 CNCc1ncc(cc1C)Cl 270004a_106832991635_200009887756 [1,1,0,0,0,0|2,0,0]=4 2890 B11R1.81 CNCc1ncc(nc1Cl)Cl 2230a_100020639390_200000210301 [1,1,0,0,0,0|2,0,0]=4 2891 B11R1.81 COCc1ccc(nc1C)C 34a_100011756430_200000210301 [1,1,0,0,0,0|2,0,0]=4 2892 B11R1.81 COCc1ccc(nc1C)C 7a_100011756430_200000210301 [1,1,0,0,0,0|2,0,0]=4 2893 B11R1.81 COCc1ccc(nc1C)F 34a_100000081978_200000210301 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.81 COCc1ccc(nc1C)F 7a_100000081978_200000210301 [1,1,0,0,0,0|2,0,0]=4 2895 B11R1.81 COCc1ncc(cc1C)Br 34a_100010116297_200000210301 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.81 COCc1ncc(cc1C)Br 7a_100010116297_200000210301 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.81 COCc1ncc(cc1C)C 34a_100012000483_200000210301 [1,1,0,0,0,0|2,0,0]=4 2898 B11R1.81 COCc1ncc(cc1C)C 34a_100138415774_100016990036 [1,1,0,0,0,0|2,0,0]=4 2899 B11R1.81 COCc1ncc(cc1C)C 7a_100012000483_200000210301 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.81 CSCc1ncc(cc1C)C 62a_100016990036_200000210301 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.81 CSCc1ncc(cc1C)C 62a_200000210301_100016990036 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.81 Cc1cc(cnc1CO[13CH3])Br 34a_100010116297_200025704644 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.81 Cc1cc(cnc1CO[13CH3])Br 7a_100010116297_200025704644 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 34a_100011756430_200025704644 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 7a_100011756430_200025704644 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 34a_100012000483_200025704644 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 7a_100012000483_200025704644 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_100016990036_200025704644 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_200025704644_100016990036 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.81 Cc1cnc(c(n1)C)SCF 62a_100000065684_100015361967 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.81 Cc1cnc(c(n1)C)SCF 62a_100015361967_100000065684 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.81 Cc1nc(ccc1CO[13CH3])F 34a_100000081978_200025704644 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.81 Cc1nc(ccc1CO[13CH3])F 7a_100000081978_200025704644 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.81 Cc1nc(cnc1SCF)N 62a_100009818570_100015361967 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.81 Cc1nc(cnc1SCF)N 62a_100015361967_100009818570 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.81 [13CH3]NCc1ncc(nc1Cl)Cl 2230a_100020639390_200025704644 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.182 CC=Cc1nc(cnc1C)C 271570a_100016259895_100000211308 [1,1,0,0,0,0|0,0,2]=4 2918 B11R1.182 CC=Cc1nc(cnc1C)N 271570a_100016259895_100009877824 [1,1,0,0,0,0|0,0,2]=4 2919 B11R1.182 CCNc1nc(cnc1C)C 27a_100015525214_100000211308 [1,1,0,0,0,0|1,0,0]=3 2920 B11R1.182 CCNc1nc(cnc1N)O 271570a_203496583355_200010196044 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.182 CCOc1cc(cnc1C)Br 34a_100009864810_100000210202 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.182 CCOc1cc(cnc1C)Br 7a_100009864810_100000210202 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.182 CCOc1nc(cnc1N)O 271570a_203496583355_200010196039 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.182 CCSc1cc(cnc1C)Br 62a_100000210202_200010090566 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.182 CCSc1cc(cnc1C)Br 62a_200010090566_100000210202 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.182 CCSc1cc(cnc1C)C 62a_100000210202_100009817436 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.182 CCSc1cc(cnc1C)C 62a_100009817436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.182 CCSc1cc(cnc1C)F 62a_100000210202_100009860710 [1,1,0,0,0,0|2,0,0]=4 2929 B11R1.182 CCSc1cc(cnc1C)F 62a_100009860710_100000210202 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.182 CCSc1cc(cnc1C)N 62a_100000210202_100011998591 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.182 CCSc1cc(cnc1C)N 62a_100011998591_100000210202 [1,1,0,0,0,0|2,0,0]=4 2932 B11R1.182 CCSc1cc(cnc1C)O 62a_100000210202_100009819603 [1,1,0,0,0,0|2,0,0]=4 2933 B11R1.182 CCSc1cc(cnc1C)O 62a_100009819603_100000210202 [1,1,0,0,0,0|2,0,0]=4 2934 B11R1.182 CCSc1nc(ccc1C)C 62a_100000210202_100009854376 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.182 CCSc1nc(ccc1C)C 62a_100009854376_100000210202 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.182 CCSc1nc(ccc1C)N 62a_100000126722_100000210202 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.182 CCSc1nc(ccc1C)N 62a_100000210202_100000126722 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.182 CCSc1nc(cnc1C)C 62a_100000210202_100000211308 [1,1,0,0,0,0|1,0,0]=3 2939 B11R1.182 CCSc1nc(cnc1C)C 62a_100000211308_100000210202 [1,1,0,0,0,0|1,0,0]=3 2940 B11R1.182 CCSc1nc(cnc1C)N 62a_100000210202_100009877824 [1,1,0,0,0,0|1,0,0]=3 2941 B11R1.182 CCSc1nc(cnc1C)N 62a_100009877824_100000210202 [1,1,0,0,0,0|1,0,0]=3 2942 B11R1.182 CCSc1nc(cnc1N)Br 62a_100000210202_100010988662 [1,1,0,0,0,0|2,0,0]=4 2943 B11R1.182 CCSc1nc(cnc1N)Br 62a_100010988662_100000210202 [1,1,0,0,0,0|2,0,0]=4 2944 B11R1.182 CCSc1nc(cnc1N)C 62a_100000210202_100009819049 [1,1,0,0,0,0|2,0,0]=4 2945 B11R1.182 CCSc1nc(cnc1N)C 62a_100009819049_100000210202 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.182 CNCc1cc(cnc1C)Cl 207a_100102657272_100000100030 [1,1,0,0,0,0|2,0,0]=4 2947 B11R1.182 CNCc1cc(cnc1C)Cl 270004a_106832991635_100000100030 [1,1,0,0,0,0|2,0,0]=4 2948 B11R1.182 COCc1cc(cnc1C)Br 34a_100010894652_200000210301 [1,1,0,0,0,0|2,0,0]=4 2949 B11R1.182 COCc1cc(cnc1C)Br 7a_100010894652_200000210301 [1,1,0,0,0,0|2,0,0]=4 2950 B11R1.182 Cc1cnc(c(n1)SCF)C 62a_100000211308_100015361967 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.182 Cc1cnc(c(n1)SCF)C 62a_100015361967_100000211308 [1,1,0,0,0,0|2,0,0]=4 2952 B11R1.182 Cc1ncc(cc1CO[13CH3])Br 34a_100010894652_200025704644 [1,1,0,0,0,0|2,0,0]=4 2953 B11R1.182 Cc1ncc(cc1CO[13CH3])Br 7a_100010894652_200025704644 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.182 Cc1ncc(nc1SCF)N 62a_100009877824_100015361967 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.182 Cc1ncc(nc1SCF)N 62a_100015361967_100009877824 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [1,1,0,0,0,0|1,0,0]=3 2960 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [1,1,0,0,0,0|2,0,0]=4 2961 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2962 B11R1.605 CCOc1c(ccnc1C)C 34a_100011934651_100000210202 [1,1,0,0,0,0|2,0,0]=4 2963 B11R1.605 CCOc1c(ccnc1C)C 7a_100011934651_100000210202 [1,1,0,0,0,0|2,0,0]=4 2964 B11R1.605 CCSc1c(ccnc1C)C 62a_100000210202_100012000501 [1,1,0,0,0,0|2,0,0]=4 2965 B11R1.605 CCSc1c(ccnc1C)C 62a_100012000501_100000210202 [1,1,0,0,0,0|2,0,0]=4 2966 B11R1.605 CCSc1c(ccnc1C)N 62a_100000210202_100010243816 [1,1,0,0,0,0|2,0,0]=4 2967 B11R1.605 CCSc1c(ccnc1C)N 62a_100010243816_100000210202 [1,1,0,0,0,0|2,0,0]=4 2968 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [1,1,0,0,0,0|0,0,2]=4 2969 B11R1.20 CC(=Cc1cnc(cn1)F)C 271570a_100102525489_100009856528 [1,1,0,0,0,0|0,0,2]=4 2970 B11R1.20 CC(=Cc1cnc(cn1)N)C 271570a_100102525489_100000761932 [1,1,0,0,0,0|0,0,2]=4 2971 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [1,1,0,0,0,0|1,0,1]=4 2972 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|2,0,0]=4 2973 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [1,1,0,0,0,0|2,0,0]=4 2974 B11R1.20 CC(C)Nc1cnc(cn1)Br 27a_100138425928_100010187541 [1,1,0,0,0,0|1,0,0]=3 2975 B11R1.20 CC(C)Nc1cnc(cn1)F 27a_100138425928_100009856528 [1,1,0,0,0,0|1,0,0]=3 2976 B11R1.20 CC(C)Nc1cnc(nn1)N 27a_100138425928_100000691435 [1,1,0,0,0,0|2,0,0]=4 2977 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [1,1,0,0,0,0|2,0,0]=4 2978 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [1,1,0,0,0,0|2,0,0]=4 2979 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [1,1,0,0,0,0|2,0,0]=4 2980 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [1,1,0,0,0,0|2,0,0]=4 2981 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 2982 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 2983 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [1,1,0,0,0,0|2,0,0]=4 2984 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [1,1,0,0,0,0|2,0,0]=4 2985 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [1,1,0,0,0,0|2,0,0]=4 2986 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [1,1,0,0,0,0|2,0,0]=4 2987 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [1,1,0,0,0,0|2,0,0]=4 2988 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [1,1,0,0,0,0|2,0,0]=4 2989 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [1,1,0,0,0,0|2,0,0]=4 2990 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [1,1,0,0,0,0|2,0,0]=4 2991 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [1,1,0,0,0,0|2,0,0]=4 2992 B11R1.20 CC(C)Oc1cnc(cn1)Br 34a_100011934580_100000210206 [1,1,0,0,0,0|1,0,0]=3 2993 B11R1.20 CC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000210206 [1,1,0,0,0,0|1,0,0]=3 2994 B11R1.20 CC(C)Oc1cnc(cn1)O 271570a_203496583355_200010967586 [1,1,0,0,0,0|1,0,0]=3 2995 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [1,1,0,0,0,0|2,0,0]=4 2996 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [1,1,0,0,0,0|2,0,0]=4 2997 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [1,1,0,0,0,0|2,0,0]=4 2998 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [1,1,0,0,0,0|2,0,0]=4 2999 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [1,1,0,0,0,0|2,0,0]=4 3000 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [1,1,0,0,0,0|2,0,0]=4 3001 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [1,1,0,0,0,0|2,0,0]=4 3002 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [1,1,0,0,0,0|2,0,0]=4 3003 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [1,1,0,0,0,0|2,0,0]=4 3004 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 3005 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100000210206_100009814638 [1,1,0,0,0,0|2,0,0]=4 3006 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100009814638_100000210206 [1,1,0,0,0,0|2,0,0]=4 3007 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [1,1,0,0,0,0|2,0,0]=4 3008 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [1,1,0,0,0,0|2,0,0]=4 3009 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000042367_100000210206 [1,1,0,0,0,0|2,0,0]=4 3010 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000210206_100000042367 [1,1,0,0,0,0|2,0,0]=4 3011 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000187370_100000210206 [1,1,0,0,0,0|2,0,0]=4 3012 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000210206_100000187370 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100000210206_100010187541 [1,1,0,0,0,0|1,0,0]=3 3014 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100010187541_100000210206 [1,1,0,0,0,0|1,0,0]=3 3015 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100000210206_100010214907 [1,1,0,0,0,0|1,0,0]=3 3016 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100010214907_100000210206 [1,1,0,0,0,0|1,0,0]=3 3017 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100000210206_100009856528 [1,1,0,0,0,0|1,0,0]=3 3018 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100009856528_100000210206 [1,1,0,0,0,0|1,0,0]=3 3019 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000210206_100000744751 [1,1,0,0,0,0|1,0,0]=3 3020 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000744751_100000210206 [1,1,0,0,0,0|1,0,0]=3 3021 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100000210206_100015839800 [1,1,0,0,0,0|1,0,0]=3 3022 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100011934580_100000210206 [1,1,0,0,0,0|1,0,0]=3 3023 B11R1.20 CC(C)Sc1cnc(nn1)N 62a_100000210206_100000691435 [1,1,0,0,0,0|2,0,0]=4 3024 B11R1.20 CC(C)Sc1cnc(nn1)N 62a_100000691435_100000210206 [1,1,0,0,0,0|2,0,0]=4 3025 B11R1.20 CN(C)Cc1ccc(cn1)Br 2230a_100102631434_100000702658 [1,1,0,0,0,0|2,0,0]=4 3026 B11R1.20 CN(C)Cc1ccc(cn1)Br 269982a_100102631434_100000702658 [1,1,0,0,0,0|2,0,0]=4 3027 B11R1.20 CN(C)Cc1ccc(cn1)Br 270004a_100102631434_100000754260 [1,1,0,0,0,0|2,0,0]=4 3028 B11R1.20 CN(C)Cc1ccc(cn1)Cl 2230a_100102631434_100012066911 [1,1,0,0,0,0|2,0,0]=4 3029 B11R1.20 CN(C)Cc1ccc(cn1)Cl 269982a_100102631434_100000697101 [1,1,0,0,0,0|2,0,0]=4 3030 B11R1.20 CN(C)Cc1ccc(cn1)Cl 270004a_100102631434_100011361569 [1,1,0,0,0,0|2,0,0]=4 3031 B11R1.20 CN(C)Cc1ccc(cn1)F 2230a_100102631434_100000703193 [1,1,0,0,0,0|2,0,0]=4 3032 B11R1.20 CN(C)Cc1ccc(cn1)F 269982a_100102631434_100000703193 [1,1,0,0,0,0|2,0,0]=4 3033 B11R1.20 CN(C)Cc1ccc(cn1)F 270004a_100102631434_100011934744 [1,1,0,0,0,0|2,0,0]=4 3034 B11R1.20 CN(C)Cc1ccc(nc1)Br 2230a_100102631434_100009831999 [1,1,0,0,0,0|2,0,0]=4 3035 B11R1.20 CN(C)Cc1ccc(nc1)Br 269982a_100102631434_100009831999 [1,1,0,0,0,0|2,0,0]=4 3036 B11R1.20 CN(C)Cc1ccc(nc1)Cl 2230a_100000026953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3037 B11R1.20 CN(C)Cc1ccc(nc1)Cl 2230a_100102631434_100000735431 [1,1,0,0,0,0|2,0,0]=4 3038 B11R1.20 CN(C)Cc1ccc(nc1)Cl 269982a_100000026953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3039 B11R1.20 CN(C)Cc1ccc(nc1)Cl 269982a_100102631434_100000735431 [1,1,0,0,0,0|2,0,0]=4 3040 B11R1.20 CN(C)Cc1ccc(nc1)Cl 34a_100000026953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3041 B11R1.20 CN(C)Cc1ccc(nc1)F 2230a_100102631434_100009820150 [1,1,0,0,0,0|2,0,0]=4 3042 B11R1.20 CN(C)Cc1ccc(nc1)F 269982a_100102631434_100009820150 [1,1,0,0,0,0|2,0,0]=4 3043 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [1,1,0,0,0,0|2,0,0]=4 3044 B11R1.20 CN(C)Cc1cnc(cn1)Cl 270004a_100102631434_100012001714 [1,1,0,0,0,0|1,0,0]=3 3045 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 2230a_100000026953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3046 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 269982a_100000026953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3047 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 34a_100000026953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3048 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [1,1,0,0,0,0|2,0,0]=4 3049 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 3050 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [1,1,0,0,0,0|2,0,0]=4 3051 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 3052 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [1,1,0,0,0,0|2,0,0]=4 3053 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 3054 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 3055 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 3056 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [1,1,0,0,0,0|2,0,0]=4 3060 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [1,1,0,0,0,0|2,0,0]=4 3061 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [1,1,0,0,0,0|2,0,0]=4 3062 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [1,1,0,0,0,0|2,0,0]=4 3064 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [1,1,0,0,0,0|2,0,0]=4 3065 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [1,1,0,0,0,0|2,0,0]=4 3066 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3067 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [1,1,0,0,0,0|2,0,0]=4 3068 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,1,0,0,0,0|2,0,0]=4 3069 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [1,1,0,0,0,0|2,0,0]=4 3070 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.20 Cc1cnc(cn1)CN(C)C 2230a_100102631434_100000752025 [1,1,0,0,0,0|1,0,0]=3 3072 B11R1.20 Cc1cnc(cn1)CN(C)C 269982a_100102631434_100000752025 [1,1,0,0,0,0|1,0,0]=3 3073 B11R1.20 Cc1cnc(cn1)CN(C)C 270004a_100102631434_100000685221 [1,1,0,0,0,0|1,0,0]=3 3074 B11R1.20 Cc1cnc(cn1)NC(C)C 27a_100138425928_100000074397 [1,1,0,0,0,0|1,0,0]=3 3075 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100000210206_100011999403 [1,1,0,0,0,0|1,0,0]=3 3076 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100011999403_100000210206 [1,1,0,0,0,0|1,0,0]=3 3077 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [1,1,0,0,0,0|0,0,2]=4 3078 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [1,1,0,0,0,0|1,0,1]=4 3079 B11R1.36 CC(C)N(C)c1cnccn1 27a_200000211004_100000211759 [1,1,0,0,0,0|1,0,0]=3 3080 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,1,0,0,0,0|2,0,0]=4 3081 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,1,0,0,0,0|2,0,0]=4 3082 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,1,0,0,0,0|2,0,0]=4 3083 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,1,0,0,0,0|2,0,0]=4 3084 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3085 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3086 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,1,0,0,0,0|2,0,0]=4 3087 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,1,0,0,0,0|2,0,0]=4 3088 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [1,1,0,0,0,0|1,0,0]=3 3089 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [1,1,0,0,0,0|1,0,0]=3 3090 B11R1.40 C#CC(C)Nc1cnccn1 27a_100000707721_100000211759 [1,1,0,0,0,0|1,0,1]=4 3091 B11R1.40 C#CC(C)Sc1cnccn1 62a_200000035995_100000211759 [1,1,0,0,0,0|1,0,1]=4 3092 B11R1.40 C=CC(C)Sc1cnccn1 62a_100011215867_100000211759 [1,1,0,0,0,0|1,0,1]=4 3093 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000211759_100000703298 [1,1,0,0,0,0|1,0,1]=4 3094 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000703298_100000211759 [1,1,0,0,0,0|1,0,1]=4 3095 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [1,1,0,0,0,0|2,0,0]=4 3096 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [1,1,0,0,0,0|2,0,0]=4 3097 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [1,1,0,0,0,0|2,0,0]=4 3099 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [1,1,0,0,0,0|1,0,0]=3 3100 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|2,0,0]=4 3101 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|2,0,0]=4 3103 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|2,0,0]=4 3104 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|1,0,0]=3 3105 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,1,0,0,0,0|1,0,0]=3 3106 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,1,0,0,0,0|0,0,0]=2 3107 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [1,1,0,0,0,0|1,0,1]=4 3108 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,1,0,0,0,0|2,0,0]=4 3109 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,1,0,0,0,0|2,0,0]=4 3113 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,1,0,0,0,0|2,0,0]=4 3114 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [1,1,0,0,0,0|1,0,0]=3 3115 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [1,1,0,0,0,0|1,0,0]=3 3116 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [1,1,0,0,0,0|2,0,0]=4 3125 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [1,1,0,0,0,0|2,0,0]=4 3126 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3127 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [1,1,0,0,0,0|2,0,0]=4 3128 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [1,1,0,0,0,0|1,0,0]=3 3129 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [1,1,0,0,0,0|1,0,0]=3 3130 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [1,1,0,0,0,0|1,0,0]=3 3131 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [1,1,0,0,0,0|1,0,0]=3 3132 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,1,0,0,0,0|2,0,0]=4 3133 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,1,0,0,0,0|2,0,0]=4 3134 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3136 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [1,1,0,0,0,0|2,0,0]=4 3137 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [1,1,0,0,0,0|2,0,0]=4 3138 B11R1.40 CN(CF)Cc1cnccn1 269982a_100011269079_100015361967 [1,1,0,0,0,0|1,0,0]=3 3139 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [1,1,0,0,0,0|1,0,1]=4 3140 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [1,1,0,0,0,0|1,0,1]=4 3141 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [1,1,0,0,0,0|1,0,1]=4 3142 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|2,0,0]=4 3143 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|1,0,0]=3 3145 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,1,0,0,0,0|1,0,0]=3 3146 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,1,0,0,0,0|1,0,0]=3 3147 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,1,0,0,0,0|0,0,0]=2 3148 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,1,0,0,0,0|0,0,0]=2 3149 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|2,0,0]=4 3150 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|2,0,0]=4 3151 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [1,1,0,0,0,0|2,0,0]=4 3154 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [1,1,0,0,0,0|1,0,0]=3 3157 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [1,1,0,0,0,0|1,0,0]=3 3158 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.40 C[C@H](CF)Nc1cnccn1 27a_100102880703_100000211759 [1,1,0,0,0,0|1,0,0]=3 3161 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [1,1,0,0,0,0|1,0,0]=3 3162 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [1,1,0,0,0,0|1,0,0]=3 3167 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [1,1,0,0,0,0|1,0,0]=3 3168 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [1,1,0,0,0,0|1,0,1]=4 3169 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [1,1,0,0,0,0|0,0,2]=4 3170 B11R1.157 CC(=Cc1cncc(n1)F)C 271570a_100102525489_200009863489 [1,1,0,0,0,0|0,0,2]=4 3171 B11R1.157 CC(=Cc1cncc(n1)N)C 271570a_100102525489_100009819714 [1,1,0,0,0,0|0,0,2]=4 3172 B11R1.157 CC(=Cc1cncc(n1)O)C 271570a_100102525489_100011269956 [1,1,0,0,0,0|0,0,2]=4 3173 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.157 CC(C)Nc1c[n+](ccn1)[O-] 27a_100138425928_100009880115 [1,1,0,0,0,0|1,0,1]=4 3175 B11R1.157 CC(C)Nc1cc(ccn1)F 27a_100138425928_100000764206 [1,1,0,0,0,0|2,0,0]=4 3176 B11R1.157 CC(C)Nc1cc(ccn1)O 271570a_203496583355_200012354261 [1,1,0,0,0,0|2,0,0]=4 3177 B11R1.157 CC(C)Nc1cccc(n1)F 27a_100138425928_100009815982 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.157 CC(C)Nc1cncc(n1)Cl 27a_100138425928_100010892449 [1,1,0,0,0,0|1,0,0]=3 3179 B11R1.157 CC(C)Nc1cncc(n1)F 27a_100138425928_200009863489 [1,1,0,0,0,0|1,0,0]=3 3180 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.157 CC(C)Oc1cccc(n1)F 34a_100011432558_100000210206 [1,1,0,0,0,0|2,0,0]=4 3182 B11R1.157 CC(C)Oc1cccc(n1)O 271570a_203496583355_100000703025 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.157 CC(C)Oc1cncc(c1)Br 34a_100000754920_100000210206 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.157 CC(C)Oc1cncc(c1)Br 7a_100000754920_100000210206 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.157 CC(C)Oc1cncc(c1)Cl 7a_100000032511_100000210206 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.157 CC(C)Oc1cncc(c1)F 34a_100011830296_100000210206 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.157 CC(C)Oc1cncc(c1)F 7a_100011830296_100000210206 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.157 CC(C)Oc1cncc(c1)N 34a_100011997051_100000210206 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.157 CC(C)Oc1cncc(c1)O 271570a_203496583355_100012029599 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.157 CC(C)Sc1c[n+](ccn1)[O-] 62a_100000210206_100009880115 [1,1,0,0,0,0|1,0,1]=4 3191 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100000210206_100010167805 [1,1,0,0,0,0|2,0,0]=4 3192 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000210206 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000210206_100000764206 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000764206_100000210206 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100000210206_100009814236 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100009814236_100000210206 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.157 CC(C)Sc1cc(ccn1)O 62a_100000210206_100000762945 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000210206_100000684672 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000684672_100000210206 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000051397_100000210206 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000210206_100000051397 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100000210206_100009815982 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100009815982_100000210206 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000210206_100000740741 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000740741_100000210206 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.157 CC(C)Sc1cncc(c1)Br 62a_100000210206_100000728054 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.157 CC(C)Sc1cncc(c1)Br 62a_100000728054_100000210206 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.157 CC(C)Sc1cncc(c1)Cl 62a_100000049639_100000210206 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.157 CC(C)Sc1cncc(c1)Cl 62a_100000210206_100000049639 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.157 CC(C)Sc1cncc(c1)F 62a_100000210206_100000744099 [1,1,0,0,0,0|2,0,0]=4 3211 B11R1.157 CC(C)Sc1cncc(c1)F 62a_100000744099_100000210206 [1,1,0,0,0,0|2,0,0]=4 3212 B11R1.157 CC(C)Sc1cncc(c1)N 62a_100000210206_100000687067 [1,1,0,0,0,0|2,0,0]=4 3213 B11R1.157 CC(C)Sc1cncc(c1)N 62a_100000687067_100000210206 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.157 CC(C)Sc1cncc(c1)O 62a_100000210206_100000754920 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.157 CC(C)Sc1cncc(c1)O 62a_100000754920_100000210206 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100000210206_100010892449 [1,1,0,0,0,0|1,0,0]=3 3217 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100010892449_100000210206 [1,1,0,0,0,0|1,0,0]=3 3218 B11R1.157 CC(C)Sc1cncc(n1)F 62a_100000210206_200009863489 [1,1,0,0,0,0|1,0,0]=3 3219 B11R1.157 CC(C)Sc1cncc(n1)F 62a_200009863489_100000210206 [1,1,0,0,0,0|1,0,0]=3 3220 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000210206_100000747728 [1,1,0,0,0,0|1,0,0]=3 3221 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000747728_100000210206 [1,1,0,0,0,0|1,0,0]=3 3222 B11R1.157 CC(C)Sc1cncc(n1)O 62a_100000210206_100011269956 [1,1,0,0,0,0|1,0,0]=3 3223 B11R1.157 CN(C)Cc1cc(ccn1)Br 2230a_100102631434_100010173614 [1,1,0,0,0,0|2,0,0]=4 3224 B11R1.157 CN(C)Cc1cc(ccn1)Br 269982a_100102631434_100010173614 [1,1,0,0,0,0|2,0,0]=4 3225 B11R1.157 CN(C)Cc1cc(ccn1)Br 270004a_100102631434_100009818557 [1,1,0,0,0,0|2,0,0]=4 3226 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102631434_100016988179 [1,1,0,0,0,0|2,0,0]=4 3227 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102954512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102631434_100016988179 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102954512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.157 CN(C)Cc1cc(ccn1)Cl 270004a_100102631434_100011998288 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_100102631434_100009889011 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_106354212997_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_100102631434_100009889011 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_106354212997_200000210301 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.157 CN(C)Cc1cccc(n1)Br 270004a_100102631434_100000688028 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.157 CN(C)Cc1cccc(n1)Cl 2230a_100102631434_100000086093 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.157 CN(C)Cc1cccc(n1)Cl 269982a_100102631434_100000086093 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.157 CN(C)Cc1cccc(n1)Cl 270004a_100102631434_100011361687 [1,1,0,0,0,0|2,0,0]=4 3239 B11R1.157 CN(C)Cc1cccc(n1)F 2230a_100102631434_100009819644 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.157 CN(C)Cc1cccc(n1)F 269982a_100102631434_100009819644 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.157 CN(C)Cc1cccc(n1)F 270004a_100102631434_100000050434 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.157 CN(C)Cc1cncc(c1)Br 2230a_100102631434_100000738771 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.157 CN(C)Cc1cncc(c1)Br 2230a_103549770560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.157 CN(C)Cc1cncc(c1)Br 269982a_100102631434_100000738771 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.157 CN(C)Cc1cncc(c1)Br 269982a_103549770560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B11R1.157 CN(C)Cc1cncc(c1)Br 270004a_100102631434_100000687066 [1,1,0,0,0,0|2,0,0]=4 3247 B11R1.157 CN(C)Cc1cncc(c1)Cl 2230a_100102631434_100016992070 [1,1,0,0,0,0|2,0,0]=4 3248 B11R1.157 CN(C)Cc1cncc(c1)Cl 269982a_100102631434_100016992070 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.157 CN(C)Cc1cncc(c1)Cl 270004a_100102631434_100000088910 [1,1,0,0,0,0|2,0,0]=4 3250 B11R1.157 CN(C)Cc1cncc(c1)F 2230a_100102631434_100000725299 [1,1,0,0,0,0|2,0,0]=4 3251 B11R1.157 CN(C)Cc1cncc(c1)F 269982a_100102631434_100000725299 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.157 CN(C)Cc1cncc(c1)F 270004a_100102631434_100011361476 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.157 CN(C)Cc1cncc(c1)O 270004a_100102631434_100012187055 [1,1,0,0,0,0|2,0,0]=4 3254 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 2230a_100102954512_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 269982a_100102954512_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 2230a_106354212997_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 269982a_106354212997_200025704644 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.157 CN([13CH3])Cc1cncc(c1)Br 2230a_103549770560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.157 CN([13CH3])Cc1cncc(c1)Br 269982a_103549770560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_100102631434_100000718516 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_106354213154_200000210301 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_100102631434_100000718516 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_106354213154_200000210301 [1,1,0,0,0,0|2,0,0]=4 3273 B11R1.157 Cc1ccnc(c1)CN(C)C 270004a_100102631434_100011361488 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 2230a_106354213154_200025704644 [1,1,0,0,0,0|2,0,0]=4 3275 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 269982a_106354213154_200025704644 [1,1,0,0,0,0|2,0,0]=4 3276 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000210206_100000750283 [1,1,0,0,0,0|2,0,0]=4 3277 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000750283_100000210206 [1,1,0,0,0,0|2,0,0]=4 3278 B11R1.157 Cc1cncc(c1)CN(C)C 2230a_100102631434_100000716715 [1,1,0,0,0,0|2,0,0]=4 3279 B11R1.157 Cc1cncc(c1)CN(C)C 269982a_100102631434_100000716715 [1,1,0,0,0,0|2,0,0]=4 3280 B11R1.157 Cc1cncc(c1)CN(C)C 270004a_100102631434_100011998712 [1,1,0,0,0,0|2,0,0]=4 3281 B11R1.157 Cc1cncc(c1)OC(C)C 34a_100011830280_100000210206 [1,1,0,0,0,0|2,0,0]=4 3282 B11R1.157 Cc1cncc(c1)OC(C)C 7a_100011830280_100000210206 [1,1,0,0,0,0|2,0,0]=4 3283 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000210206_100000760492 [1,1,0,0,0,0|2,0,0]=4 3284 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000760492_100000210206 [1,1,0,0,0,0|2,0,0]=4 3285 B11R1.157 Cc1cncc(n1)CN(C)C 270004a_100102631434_100000100294 [1,1,0,0,0,0|1,0,0]=3 3286 B11R1.157 Cc1cncc(n1)NC(C)C 27a_100138425928_100000754123 [1,1,0,0,0,0|1,0,0]=3 3287 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000210206_100000754123 [1,1,0,0,0,0|1,0,0]=3 3288 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000754123_100000210206 [1,1,0,0,0,0|1,0,0]=3 3289 B11R1.509 CC(C)(C)Oc1cccnc1 34a_100000210849_100000210625 [1,1,0,0,0,0|2,0,0]=4 3290 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100000211941_100011216584 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100011216584_100000211941 [1,1,0,0,0,0|2,0,0]=4 3292 B11R1.509 CC(C)(C)Sc1cccnc1 62a_100000210063_100000211941 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.509 CC(C)(C)Sc1cccnc1 62a_100000211941_100000210063 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.509 CC(C)(C)Sc1cnccn1 62a_100000211759_100000211941 [1,1,0,0,0,0|1,0,0]=3 3295 B11R1.509 CC(C)(C)Sc1cnccn1 62a_100000211941_100000211759 [1,1,0,0,0,0|1,0,0]=3 3296 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,1,0,0,1,0|0,0,2]=4 3297 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,1,0,0,1,0|0,0,2]=4 3298 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,1,0,0,1,0|0,0,2]=4 3299 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,1,0,0,1,0|0,0,2]=4 3300 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,1,0,0,1,0|0,0,2]=4 3301 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,1,0,0,1,0|1,0,1]=4 3302 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,1,0,0,1,0|1,0,1]=4 3303 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,1,0,0,1,0|1,0,1]=4 3304 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,1,0,0,1,0|1,0,1]=4 3305 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,1,0,0,1,0|2,0,0]=4 3306 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,1,0,0,1,0|2,0,0]=4 3307 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,1,0,0,1,0|2,0,0]=4 3308 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,1,0|2,0,0]=4 3309 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,1,0|2,0,0]=4 3310 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,1,0,0,1,0|2,0,0]=4 3311 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,1,0,0,1,0|2,0,0]=4 3312 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,1,0,0,1,0|1,0,0]=3 3313 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,1,0,0,1,0|1,0,0]=3 3314 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,0,0,1,0|1,0,0]=3 3315 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,0,0,1,0|1,0,0]=3 3316 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [0,1,0,0,1,0|2,0,0]=4 3317 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [0,1,0,0,1,0|2,0,0]=4 3318 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,1,0,0,1,0|2,0,0]=4 3319 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,1,0,0,1,0|2,0,0]=4 3320 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,1,0,0,1,0|2,0,0]=4 3321 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,1,0,0,1,0|2,0,0]=4 3322 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,1,0,0,1,0|1,0,0]=3 3323 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,1,0,0,1,0|2,0,0]=4 3324 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,1,0,0,1,0|2,0,0]=4 3325 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,1,0,0,1,0|1,0,1]=4 3326 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,1,0,0,1,0|1,0,0]=3 3327 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,1,0,0,1,0|2,0,0]=4 3328 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,1,0,0,1,0|2,0,0]=4 3329 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,1,0,0,1,0|2,0,0]=4 3330 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [0,1,0,0,1,0|2,0,0]=4 3331 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,1,0,0,1,0|1,0,1]=4 3332 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,1,0,0,1,0|1,0,0]=3 3333 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,1,0|2,0,0]=4 3334 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,1,0|2,0,0]=4 3335 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,0,0,1,0|1,0,0]=3 3336 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,0,0,1,0|1,0,0]=3 3337 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,1,0,0,1,0|1,0,0]=3 3338 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,1,0,0,1,0|2,0,0]=4 3339 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,1,0,0,1,0|2,0,0]=4 3340 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,1,0,0,1,0|2,0,0]=4 3341 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,1,0,0,1,0|2,0,0]=4 3342 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,1,0,0,1,0|2,0,0]=4 3343 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,1,0,0,1,0|2,0,0]=4 3344 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,1,0,0,1,0|2,0,0]=4 3345 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,1,0,0,1,0|2,0,0]=4 3346 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [0,1,0,0,1,0|2,0,0]=4 3347 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [0,1,0,0,1,0|2,0,0]=4 3348 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,1,0,0,1,0|1,0,0]=3 3349 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,1,0,0,1,0|1,0,0]=3 3350 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,1,0,0,1,0|2,0,0]=4 3351 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,1,0,0,1,0|2,0,0]=4 3352 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,1,0,0,1,0|1,0,1]=4 3353 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,1,0,0,1,0|1,0,1]=4 3354 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,1,0,0,1,0|1,0,0]=3 3355 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,1,0,0,1,0|2,0,0]=4 3356 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,1,0,0,1,0|2,0,0]=4 3357 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [0,1,0,0,1,0|2,0,0]=4 3358 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [0,1,0,0,1,0|2,0,0]=4 3359 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [0,1,0,0,1,0|2,0,0]=4 3360 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,1,0,0,1,0|0,0,2]=4 3361 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,1,0,0,1,0|0,0,2]=4 3362 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,1,0,0,1,0|1,0,0]=3 3363 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,1,0,0,1,0|0,0,2]=4 3364 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,1,0,0,1,0|0,0,2]=4 3365 B11R1.167 CN(C)c1nc(cnc1N)O 271570a_203496583355_200010196045 [0,1,0,0,1,0|2,0,0]=4 3366 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [0,1,0,0,1,0|1,0,0]=3 3367 B11R1.57 CC(C)Sc1ccsc1CO 62a_100000210206_100000702026 [0,1,0,0,1,0|2,0,0]=4 3368 B11R1.57 CC(C)Sc1ccsc1CO 62a_100000702026_100000210206 [0,1,0,0,1,0|2,0,0]=4 3369 B11R1.57 CC(C)Sc1ncsc1CO 62a_100000210206_100012000948 [0,1,0,0,1,0|2,0,0]=4 3370 B11R1.57 CC(C)Sc1ncsc1CO 62a_100012000948_100000210206 [0,1,0,0,1,0|2,0,0]=4 3371 B11R1.57 CC(C)Sc1sccc1CN 62a_100000210206_100000727803 [0,1,0,0,1,0|2,0,0]=4 3372 B11R1.57 CC(C)Sc1sccc1CN 62a_100000727803_100000210206 [0,1,0,0,1,0|2,0,0]=4 3373 B11R1.57 CC(C)Sc1sccc1CO 62a_100000210206_100009816922 [0,1,0,0,1,0|2,0,0]=4 3374 B11R1.57 CC(C)Sc1sccc1CO 62a_100009816922_100000210206 [0,1,0,0,1,0|2,0,0]=4 3375 B11R1.57 CCc1ccsc1SC(C)C 62a_100000210206_200009875468 [0,1,0,0,1,0|2,0,0]=4 3376 B11R1.57 CCc1ccsc1SC(C)C 62a_200009875468_100000210206 [0,1,0,0,1,0|2,0,0]=4 3377 B11R1.57 CCn1ccnc1CN(C)C 2230a_100011628387_200000210301 [0,1,0,0,1,0|2,0,0]=4 3378 B11R1.57 CCn1ccnc1CN(C)C 269982a_100011628387_200000210301 [0,1,0,0,1,0|2,0,0]=4 3379 B11R1.57 CCn1ccnc1CN(C)C 270004a_100102631434_100000748659 [0,1,0,0,1,0|2,0,0]=4 3380 B11R1.57 CCn1ccnc1CN(C)[13CH3] 2230a_100011628387_200025704644 [0,1,0,0,1,0|2,0,0]=4 3381 B11R1.57 CCn1ccnc1CN(C)[13CH3] 269982a_100011628387_200025704644 [0,1,0,0,1,0|2,0,0]=4 3382 B11R1.57 CCn1ccnc1SC(C)C 62a_100000210206_100011617267 [0,1,0,0,1,0|2,0,0]=4 3383 B11R1.57 CCn1ccnc1SC(C)C 62a_100011617267_100000210206 [0,1,0,0,1,0|2,0,0]=4 3384 B11R1.57 CCn1nccc1CN(C)C 2230a_100102631434_100025719316 [0,1,0,0,1,0|2,0,0]=4 3385 B11R1.57 CCn1nccc1CN(C)C 269982a_100102631434_100025719316 [0,1,0,0,1,0|2,0,0]=4 3386 B11R1.57 CCn1nccc1CN(C)C 270004a_100102631434_100000763647 [0,1,0,0,1,0|2,0,0]=4 3387 B11R1.57 CCn1nccc1OC(C)C 34a_100012181048_100000210206 [0,1,0,0,1,0|2,0,0]=4 3388 B11R1.57 CCn1nccc1SC(C)C 62a_100000210206_100000728327 [0,1,0,0,1,0|2,0,0]=4 3389 B11R1.57 CCn1nccc1SC(C)C 62a_100000728327_100000210206 [0,1,0,0,1,0|2,0,0]=4 3390 B11R1.57 CCn1ncnc1CN(C)C 270004a_100102631434_100011935331 [0,1,0,0,1,0|2,0,0]=4 3391 B11R1.57 CCn1ncnc1NC(C)C 27a_100138425928_100009879425 [0,1,0,0,1,0|2,0,0]=4 3392 B11R1.57 CCn1ncnc1SC(C)C 62a_100000210206_100009879425 [0,1,0,0,1,0|2,0,0]=4 3393 B11R1.57 CCn1ncnc1SC(C)C 62a_100009879425_100000210206 [0,1,0,0,1,0|2,0,0]=4 3394 B11R1.57 COc1ccoc1CN(C)C 270004a_100102631434_200009856553 [0,1,0,0,1,0|2,0,0]=4 3395 B11R1.57 COc1ccsc1CN(C)C 270004a_100102631434_100000689126 [0,1,0,0,1,0|2,0,0]=4 3396 B11R1.57 COc1n[nH]cc1SC(C)C 62a_100000210206_100010982843 [0,1,0,0,1,0|2,0,0]=4 3397 B11R1.57 CSc1sccc1SC(C)C 62a_100000210206_200010341309 [0,1,0,0,1,0|2,0,0]=4 3398 B11R1.57 CSc1sccc1SC(C)C 62a_200010341309_100000210206 [0,1,0,0,1,0|2,0,0]=4 3399 B11R1.89 CC(C)N(C)c1ncnn1C 27a_200000211004_100000732653 [0,1,0,0,1,0|2,0,0]=4 3400 B11R1.105 Cc1[nH]cnc1SC(C)(C)C 62a_100000211941_100010186451 [0,1,0,0,1,0|1,0,1]=4 3401 B11R1.105 Cc1[nH]cnc1SC(C)(C)C 62a_100010186451_100000211941 [0,1,0,0,1,0|1,0,1]=4 3402 B11R1.105 Cc1c[nH]nc1SC(C)(C)C 62a_100000211941_100009871783 [0,1,0,0,1,0|2,0,0]=4 3403 B11R1.105 Cc1c[nH]nc1SC(C)(C)C 62a_100009871783_100000211941 [0,1,0,0,1,0|2,0,0]=4 3404 B11R1.105 Cc1ccsc1SC(C)(C)C 62a_100000211941_100010247149 [0,1,0,0,1,0|2,0,0]=4 3405 B11R1.105 Cc1ccsc1SC(C)(C)C 62a_100010247149_100000211941 [0,1,0,0,1,0|2,0,0]=4 3406 B11R1.105 Cc1n[nH]cc1SC(C)(C)C 62a_100000211941_100000692133 [0,1,0,0,1,0|2,0,0]=4 3407 B11R1.105 Cc1n[nH]cc1SC(C)(C)C 62a_100000692133_100000211941 [0,1,0,0,1,0|2,0,0]=4 3408 B11R1.105 Cc1ncsc1SC(C)(C)C 62a_100000211941_100009817116 [0,1,0,0,1,0|2,0,0]=4 3409 B11R1.105 Cc1ncsc1SC(C)(C)C 62a_100009817116_100000211941 [0,1,0,0,1,0|2,0,0]=4 3410 B11R1.105 Cc1sccc1SC(C)(C)C 62a_100000211941_100000684487 [0,1,0,0,1,0|2,0,0]=4 3411 B11R1.105 Cc1sccc1SC(C)(C)C 62a_100000684487_100000211941 [0,1,0,0,1,0|2,0,0]=4 3412 B11R1.105 Cc1scnc1SC(C)(C)C 62a_100000211941_100000732656 [0,1,0,0,1,0|2,0,0]=4 3413 B11R1.105 Cc1scnc1SC(C)(C)C 62a_100000732656_100000211941 [0,1,0,0,1,0|2,0,0]=4 3414 B11R1.105 Cn1ccnc1SC(C)(C)C 62a_100000211941_100000707724 [0,1,0,0,1,0|2,0,0]=4 3415 B11R1.105 Cn1ccnc1SC(C)(C)C 62a_100000707724_100000211941 [0,1,0,0,1,0|2,0,0]=4 3416 B11R1.105 Cn1nccc1OC(C)(C)C 34a_100020632926_100000210625 [0,1,0,0,1,0|2,0,0]=4 3417 B11R1.105 Cn1nccc1SC(C)(C)C 62a_100000211941_100000688441 [0,1,0,0,1,0|2,0,0]=4 3418 B11R1.105 Cn1nccc1SC(C)(C)C 62a_100000688441_100000211941 [0,1,0,0,1,0|2,0,0]=4 3419 B11R1.105 Cn1ncnc1SC(C)(C)C 62a_100000211941_100000732653 [0,1,0,0,1,0|2,0,0]=4 3420 B11R1.105 Cn1ncnc1SC(C)(C)C 62a_100000732653_100000211941 [0,1,0,0,1,0|2,0,0]=4 3421 B11R1.228 CC(CO)Oc1ccnn1C 34a_100020632926_100012180447 [0,1,0,0,1,0|2,0,0]=4 3422 B11R1.228 CC(CO)Sc1ccnn1C 62a_100012180447_100000688441 [0,1,0,0,1,0|2,0,0]=4 3423 B11R1.228 CC(CO)Sc1nccn1C 62a_100012180447_100000707724 [0,1,0,0,1,0|2,0,0]=4 3424 B11R1.228 CC(CO)Sc1ncnn1C 62a_100012180447_100000732653 [0,1,0,0,1,0|2,0,0]=4 3425 B11R1.228 CCC(C)Oc1ccnn1C 34a_100020632926_100011215416 [0,1,0,0,1,0|2,0,0]=4 3426 B11R1.228 CCC(C)Sc1c[nH]nc1C 62a_100000692133_100000758301 [0,1,0,0,1,0|2,0,0]=4 3427 B11R1.228 CCC(C)Sc1c[nH]nc1C 62a_100000758301_100000692133 [0,1,0,0,1,0|2,0,0]=4 3428 B11R1.228 CCC(C)Sc1ccnn1C 62a_100000688441_100000758301 [0,1,0,0,1,0|2,0,0]=4 3429 B11R1.228 CCC(C)Sc1ccnn1C 62a_100000758301_100000688441 [0,1,0,0,1,0|2,0,0]=4 3430 B11R1.228 CCC(C)Sc1ccsc1C 62a_100000684487_100000758301 [0,1,0,0,1,0|2,0,0]=4 3431 B11R1.228 CCC(C)Sc1ccsc1C 62a_100000758301_100000684487 [0,1,0,0,1,0|2,0,0]=4 3432 B11R1.228 CCC(C)Sc1n[nH]cc1C 62a_100000758301_100009871783 [0,1,0,0,1,0|2,0,0]=4 3433 B11R1.228 CCC(C)Sc1n[nH]cc1C 62a_100009871783_100000758301 [0,1,0,0,1,0|2,0,0]=4 3434 B11R1.228 CCC(C)Sc1nc[nH]c1C 62a_100000758301_100010186451 [0,1,0,0,1,0|1,0,1]=4 3435 B11R1.228 CCC(C)Sc1nc[nH]c1C 62a_100010186451_100000758301 [0,1,0,0,1,0|1,0,1]=4 3436 B11R1.228 CCC(C)Sc1nccn1C 62a_100000707724_100000758301 [0,1,0,0,1,0|2,0,0]=4 3437 B11R1.228 CCC(C)Sc1nccn1C 62a_100000758301_100000707724 [0,1,0,0,1,0|2,0,0]=4 3438 B11R1.228 CCC(C)Sc1ncnn1C 62a_100000732653_100000758301 [0,1,0,0,1,0|2,0,0]=4 3439 B11R1.228 CCC(C)Sc1ncnn1C 62a_100000758301_100000732653 [0,1,0,0,1,0|2,0,0]=4 3440 B11R1.228 CCC(C)Sc1ncsc1C 62a_100000732656_100000758301 [0,1,0,0,1,0|2,0,0]=4 3441 B11R1.228 CCC(C)Sc1ncsc1C 62a_100000758301_100000732656 [0,1,0,0,1,0|2,0,0]=4 3442 B11R1.228 CCC(C)Sc1sccc1C 62a_100000758301_100010247149 [0,1,0,0,1,0|2,0,0]=4 3443 B11R1.228 CCC(C)Sc1sccc1C 62a_100010247149_100000758301 [0,1,0,0,1,0|2,0,0]=4 3444 B11R1.228 CCC(C)Sc1scnc1C 62a_100000758301_100009817116 [0,1,0,0,1,0|2,0,0]=4 3445 B11R1.228 CCC(C)Sc1scnc1C 62a_100009817116_100000758301 [0,1,0,0,1,0|2,0,0]=4 3446 B11R1.228 CCN(C)Cc1c[nH]nc1C 2230a_100020588691_100000210202 [0,1,0,0,1,0|2,0,0]=4 3447 B11R1.228 CCN(C)Cc1c[nH]nc1C 269982a_100020588691_100000204670 [0,1,0,0,1,0|2,0,0]=4 3448 B11R1.228 CCN(C)Cc1ccnn1C 2230a_100000225621_100000691648 [0,1,0,0,1,0|2,0,0]=4 3449 B11R1.228 CCN(C)Cc1ccnn1C 2230a_100000723423_100000210202 [0,1,0,0,1,0|2,0,0]=4 3450 B11R1.228 CCN(C)Cc1ccnn1C 269982a_100000225621_100000691648 [0,1,0,0,1,0|2,0,0]=4 3451 B11R1.228 CCN(C)Cc1ccnn1C 269982a_100000723423_100000204670 [0,1,0,0,1,0|2,0,0]=4 3452 B11R1.228 CCN(C)Cc1ccoc1C 2230a_100000745204_100000210202 [0,1,0,0,1,0|2,0,0]=4 3453 B11R1.228 CCN(C)Cc1ccoc1C 269982a_100000745204_100000204670 [0,1,0,0,1,0|2,0,0]=4 3454 B11R1.228 CCN(C)Cc1nc[nH]c1C 2230a_100000225621_100000751220 [0,1,0,0,1,0|1,0,1]=4 3455 B11R1.228 CCN(C)Cc1nc[nH]c1C 269982a_100000225621_100000751220 [0,1,0,0,1,0|1,0,1]=4 3456 B11R1.228 CCN(C)Cc1nccn1C 2230a_100000225621_100000700302 [0,1,0,0,1,0|2,0,0]=4 3457 B11R1.228 CCN(C)Cc1nccn1C 269982a_100000225621_100000700302 [0,1,0,0,1,0|2,0,0]=4 3458 B11R1.228 CCN(C)Cc1ncoc1C 2230a_100000225621_200000693990 [0,1,0,0,1,0|2,0,0]=4 3459 B11R1.228 CCN(C)Cc1nonc1C 2230a_100000225621_200000044682 [0,1,0,0,1,0|2,0,0]=4 3460 B11R1.228 CCN(C)Cc1nonc1C 2230a_200016994989_100000210202 [0,1,0,0,1,0|2,0,0]=4 3461 B11R1.228 CCN(C)Cc1nonc1C 269982a_100000225621_200000044682 [0,1,0,0,1,0|2,0,0]=4 3462 B11R1.228 CCN(C)Cc1nonc1C 269982a_200016994989_100000204670 [0,1,0,0,1,0|2,0,0]=4 3463 B11R1.228 CCN(C)Cc1occc1C 2230a_100000734364_100000210202 [0,1,0,0,1,0|2,0,0]=4 3464 B11R1.228 CCN(C)Cc1occc1C 269982a_100000734364_100000204670 [0,1,0,0,1,0|2,0,0]=4 3465 B11R1.228 CCN(C)Cc1sccc1C 2230a_100000695154_100000210202 [0,1,0,0,1,0|2,0,0]=4 3466 B11R1.228 CCN(C)Cc1sccc1C 269982a_100000695154_100000204670 [0,1,0,0,1,0|2,0,0]=4 3467 B11R1.228 CN(CF)Cc1ccnn1C 269982a_100000723423_100015361967 [0,1,0,0,1,0|2,0,0]=4 3468 B11R1.228 COC(C)Sc1c[nH]nc1C 62a_100000692133_100009879195 [0,1,0,0,1,0|2,0,0]=4 3469 B11R1.228 COC(C)Sc1c[nH]nc1C 62a_100009879195_100000692133 [0,1,0,0,1,0|2,0,0]=4 3470 B11R1.228 COC(C)Sc1ccnn1C 62a_100000688441_100009879195 [0,1,0,0,1,0|2,0,0]=4 3471 B11R1.228 COC(C)Sc1ccnn1C 62a_100009879195_100000688441 [0,1,0,0,1,0|2,0,0]=4 3472 B11R1.228 COC(C)Sc1ccsc1C 62a_100000684487_100009879195 [0,1,0,0,1,0|2,0,0]=4 3473 B11R1.228 COC(C)Sc1ccsc1C 62a_100009879195_100000684487 [0,1,0,0,1,0|2,0,0]=4 3474 B11R1.228 COC(C)Sc1n[nH]cc1C 62a_100009871783_100009879195 [0,1,0,0,1,0|2,0,0]=4 3475 B11R1.228 COC(C)Sc1n[nH]cc1C 62a_100009879195_100009871783 [0,1,0,0,1,0|2,0,0]=4 3476 B11R1.228 COC(C)Sc1nc[nH]c1C 62a_100009879195_100010186451 [0,1,0,0,1,0|1,0,1]=4 3477 B11R1.228 COC(C)Sc1nc[nH]c1C 62a_100010186451_100009879195 [0,1,0,0,1,0|1,0,1]=4 3478 B11R1.228 COC(C)Sc1nccn1C 62a_100000707724_100009879195 [0,1,0,0,1,0|2,0,0]=4 3479 B11R1.228 COC(C)Sc1nccn1C 62a_100009879195_100000707724 [0,1,0,0,1,0|2,0,0]=4 3480 B11R1.228 COC(C)Sc1ncnn1C 62a_100000732653_100009879195 [0,1,0,0,1,0|2,0,0]=4 3481 B11R1.228 COC(C)Sc1ncnn1C 62a_100009879195_100000732653 [0,1,0,0,1,0|2,0,0]=4 3482 B11R1.228 COC(C)Sc1ncsc1C 62a_100000732656_100009879195 [0,1,0,0,1,0|2,0,0]=4 3483 B11R1.228 COC(C)Sc1ncsc1C 62a_100009879195_100000732656 [0,1,0,0,1,0|2,0,0]=4 3484 B11R1.228 COC(C)Sc1sccc1C 62a_100009879195_100010247149 [0,1,0,0,1,0|2,0,0]=4 3485 B11R1.228 COC(C)Sc1sccc1C 62a_100010247149_100009879195 [0,1,0,0,1,0|2,0,0]=4 3486 B11R1.228 COC(C)Sc1scnc1C 62a_100009817116_100009879195 [0,1,0,0,1,0|2,0,0]=4 3487 B11R1.228 COC(C)Sc1scnc1C 62a_100009879195_100009817116 [0,1,0,0,1,0|2,0,0]=4 3488 B11R1.228 C[C@H](CF)Nc1ncnn1C 27a_100102880703_100000732653 [0,1,0,0,1,0|2,0,0]=4 3489 B11R1.228 C[C@H](CO)Nc1ncnn1C 27a_100000737577_100000732653 [0,1,0,0,1,0|2,0,0]=4 3490 B11R1.228 C[C@H](CO)Sc1ccnn1C 62a_100000688441_100016084084 [0,1,0,0,1,0|2,0,0]=4 3491 B11R1.228 C[C@H](CO)Sc1ccnn1C 62a_100016084084_100000688441 [0,1,0,0,1,0|2,0,0]=4 3492 B11R1.228 C[C@H](CO)Sc1nccn1C 62a_100000707724_100016084084 [0,1,0,0,1,0|2,0,0]=4 3493 B11R1.228 C[C@H](CO)Sc1nccn1C 62a_100016084084_100000707724 [0,1,0,0,1,0|2,0,0]=4 3494 B11R1.228 C[C@H](CO)Sc1ncnn1C 62a_100000732653_100016084084 [0,1,0,0,1,0|2,0,0]=4 3495 B11R1.228 C[C@H](CO)Sc1ncnn1C 62a_100016084084_100000732653 [0,1,0,0,1,0|2,0,0]=4 3496 B11R1.228 Cc1[nH]cnc1SC(C)CO 62a_100012180447_100010186451 [0,1,0,0,1,0|1,0,1]=4 3497 B11R1.228 Cc1[nH]cnc1S[C@H](C)CO 62a_100010186451_100016084084 [0,1,0,0,1,0|1,0,1]=4 3498 B11R1.228 Cc1[nH]cnc1S[C@H](C)CO 62a_100016084084_100010186451 [0,1,0,0,1,0|1,0,1]=4 3499 B11R1.228 Cc1c[nH]nc1SC(C)CO 62a_100012180447_100009871783 [0,1,0,0,1,0|2,0,0]=4 3500 B11R1.228 Cc1c[nH]nc1S[C@H](C)CO 62a_100009871783_100016084084 [0,1,0,0,1,0|2,0,0]=4 3501 B11R1.228 Cc1c[nH]nc1S[C@H](C)CO 62a_100016084084_100009871783 [0,1,0,0,1,0|2,0,0]=4 3502 B11R1.228 Cc1ccoc1CN(C)CF 269982a_100000734364_100015361967 [0,1,0,0,1,0|2,0,0]=4 3503 B11R1.228 Cc1ccsc1CN(C)CF 269982a_100000695154_100015361967 [0,1,0,0,1,0|2,0,0]=4 3504 B11R1.228 Cc1ccsc1SC(C)CO 62a_100012180447_100010247149 [0,1,0,0,1,0|2,0,0]=4 3505 B11R1.228 Cc1ccsc1S[C@H](C)CO 62a_100010247149_100016084084 [0,1,0,0,1,0|2,0,0]=4 3506 B11R1.228 Cc1ccsc1S[C@H](C)CO 62a_100016084084_100010247149 [0,1,0,0,1,0|2,0,0]=4 3507 B11R1.228 Cc1n[nH]cc1CN(C)CF 269982a_100020588691_100015361967 [0,1,0,0,1,0|2,0,0]=4 3508 B11R1.228 Cc1n[nH]cc1SC(C)CO 62a_100012180447_100000692133 [0,1,0,0,1,0|2,0,0]=4 3509 B11R1.228 Cc1n[nH]cc1S[C@H](C)CO 62a_100000692133_100016084084 [0,1,0,0,1,0|2,0,0]=4 3510 B11R1.228 Cc1n[nH]cc1S[C@H](C)CO 62a_100016084084_100000692133 [0,1,0,0,1,0|2,0,0]=4 3511 B11R1.228 Cc1ncsc1SC(C)CO 62a_100012180447_100009817116 [0,1,0,0,1,0|2,0,0]=4 3512 B11R1.228 Cc1ncsc1S[C@H](C)CO 62a_100009817116_100016084084 [0,1,0,0,1,0|2,0,0]=4 3513 B11R1.228 Cc1ncsc1S[C@H](C)CO 62a_100016084084_100009817116 [0,1,0,0,1,0|2,0,0]=4 3514 B11R1.228 Cc1nonc1CN(C)CF 269982a_200016994989_100015361967 [0,1,0,0,1,0|2,0,0]=4 3515 B11R1.228 Cc1occc1CN(C)CF 269982a_100000745204_100015361967 [0,1,0,0,1,0|2,0,0]=4 3516 B11R1.228 Cc1sccc1SC(C)CO 62a_100012180447_100000684487 [0,1,0,0,1,0|2,0,0]=4 3517 B11R1.228 Cc1sccc1S[C@H](C)CO 62a_100000684487_100016084084 [0,1,0,0,1,0|2,0,0]=4 3518 B11R1.228 Cc1sccc1S[C@H](C)CO 62a_100016084084_100000684487 [0,1,0,0,1,0|2,0,0]=4 3519 B11R1.228 Cc1scnc1SC(C)CO 62a_100012180447_100000732656 [0,1,0,0,1,0|2,0,0]=4 3520 B11R1.228 Cc1scnc1S[C@H](C)CO 62a_100000732656_100016084084 [0,1,0,0,1,0|2,0,0]=4 3521 B11R1.228 Cc1scnc1S[C@H](C)CO 62a_100016084084_100000732656 [0,1,0,0,1,0|2,0,0]=4 3522 B11R1.313 CN(C)Cc1ncc(n1C)Br 270004a_100102631434_200009816901 [0,1,0,0,1,0|2,0,0]=4 3523 B11R1.313 Cc1[nH]nc(c1C)SC(C)C 62a_100000210206_100015309786 [0,1,0,0,1,0|2,0,0]=4 3524 B11R1.313 Cc1[nH]nc(c1C)SC(C)C 62a_100015309786_100000210206 [0,1,0,0,1,0|2,0,0]=4 3525 B11R1.313 Cc1cnc(n1C)SC(C)C 62a_100000210206_100009816807 [0,1,0,0,1,0|2,0,0]=4 3526 B11R1.313 Cc1cnc(n1C)SC(C)C 62a_100009816807_100000210206 [0,1,0,0,1,0|2,0,0]=4 3527 B11R1.495 CN(C)Cc1c(cnn1C)Br 270004a_100102631434_100000763672 [0,1,0,0,1,0|2,0,0]=4 3528 B11R1.495 CN(C)Cc1c(cnn1C)I 270004a_100102631434_100010381483 [0,1,0,0,1,0|2,0,0]=4 3529 B11R1.495 Cc1cnn(c1CN(C)C)C 270004a_100102631434_100000708471 [0,1,0,0,1,0|2,0,0]=4 3530 B11R1.495 Cc1n[nH]c(c1CN(C)C)C 270004a_100102631434_100000739816 [0,1,0,0,1,0|2,0,0]=4 3531 B11R1.495 Cc1n[nH]c(c1OC(C)C)C 34a_100012186652_100000210206 [0,1,0,0,1,0|2,0,0]=4 3532 B11R1.495 Cc1n[nH]c(c1SC(C)C)C 62a_100000210206_100000238710 [0,1,0,0,1,0|2,0,0]=4 3533 B11R1.495 Cc1n[nH]c(c1SC(C)C)C 62a_100000238710_100000210206 [0,1,0,0,1,0|2,0,0]=4 3534 B11R1.495 Cc1n[nH]c(c1SC(C)C)N 62a_100000182022_100000210206 [0,1,0,0,1,0|2,0,0]=4 3535 B11R1.495 Cc1n[nH]c(c1SC(C)C)N 62a_100000210206_100000182022 [0,1,0,0,1,0|2,0,0]=4 3536 B11R1.495 Cc1noc(c1CN(C)C)C 2230a_100015185328_200000210301 [0,1,0,0,1,0|2,0,0]=4 3537 B11R1.495 Cc1noc(c1CN(C)C)C 2230a_100102631434_100000184612 [0,1,0,0,1,0|2,0,0]=4 3538 B11R1.495 Cc1noc(c1CN(C)C)C 269982a_100015185328_200000210301 [0,1,0,0,1,0|2,0,0]=4 3539 B11R1.495 Cc1noc(c1CN(C)C)C 269982a_100102631434_100000184612 [0,1,0,0,1,0|2,0,0]=4 3540 B11R1.495 Cc1noc(c1CN(C)C)C 34a_100015185328_200000210301 [0,1,0,0,1,0|2,0,0]=4 3541 B11R1.495 Cc1noc(c1CN(C)[13CH3])C 2230a_100015185328_200025704644 [0,1,0,0,1,0|2,0,0]=4 3542 B11R1.495 Cc1noc(c1CN(C)[13CH3])C 269982a_100015185328_200025704644 [0,1,0,0,1,0|2,0,0]=4 3543 B11R1.495 Cc1noc(c1CN(C)[13CH3])C 34a_100015185328_200025704644 [0,1,0,0,1,0|2,0,0]=4 3544 B11R1.495 Cc1noc(c1SC(C)C)C 62a_100000210206_100000694658 [0,1,0,0,1,0|2,0,0]=4 3545 B11R1.495 Cc1noc(c1SC(C)C)C 62a_100000694658_100000210206 [0,1,0,0,1,0|2,0,0]=4 3546 B11R1.495 Cc1noc(c1SC(C)C)N 62a_100000210206_100000754107 [0,1,0,0,1,0|2,0,0]=4 3547 B11R1.495 Cc1noc(c1SC(C)C)N 62a_100000754107_100000210206 [0,1,0,0,1,0|2,0,0]=4 3548 B11R1.495 Cc1nsc(c1SC(C)C)N 62a_100000210206_100000701153 [0,1,0,0,1,0|2,0,0]=4 3549 B11R1.495 Cc1nsc(c1SC(C)C)N 62a_100000701153_100000210206 [0,1,0,0,1,0|2,0,0]=4 3550 B11R1.645 CC(C)Sc1cc(nn1C)N 62a_100000210206_100116209741 [0,1,0,0,1,0|2,0,0]=4 3551 B11R1.645 CC(C)Sc1cc(nn1C)N 62a_100116209741_100000210206 [0,1,0,0,1,0|2,0,0]=4 3552 B11R1.645 Cc1cc(c(s1)C)CN(C)C 270004a_100102631434_100000745318 [0,1,0,0,1,0|2,0,0]=4 3553 B11R1.645 Cc1cc(c(s1)C)SC(C)C 62a_100000210206_100000688054 [0,1,0,0,1,0|2,0,0]=4 3554 B11R1.645 Cc1cc(c(s1)C)SC(C)C 62a_100000688054_100000210206 [0,1,0,0,1,0|2,0,0]=4 3555 B11R1.645 Cc1cc(c(s1)SC(C)C)C 62a_100000210206_100000689295 [0,1,0,0,1,0|2,0,0]=4 3556 B11R1.645 Cc1cc(c(s1)SC(C)C)C 62a_100000689295_100000210206 [0,1,0,0,1,0|2,0,0]=4 3557 B11R1.645 Cc1cc(n(n1)C)CN(C)C 2230a_100011453126_200000210301 [0,1,0,0,1,0|2,0,0]=4 3558 B11R1.645 Cc1cc(n(n1)C)CN(C)C 2230a_100102631434_100025716357 [0,1,0,0,1,0|2,0,0]=4 3559 B11R1.645 Cc1cc(n(n1)C)CN(C)C 269982a_100011453126_200000210301 [0,1,0,0,1,0|2,0,0]=4 3560 B11R1.645 Cc1cc(n(n1)C)CN(C)C 269982a_100102631434_100025716357 [0,1,0,0,1,0|2,0,0]=4 3561 B11R1.645 Cc1cc(n(n1)C)CN(C)C 270004a_100102631434_100011218982 [0,1,0,0,1,0|2,0,0]=4 3562 B11R1.645 Cc1cc(n(n1)C)CN(C)C 34a_100011453126_200000210301 [0,1,0,0,1,0|2,0,0]=4 3563 B11R1.645 Cc1cc(n(n1)C)CN(C)[13CH3] 2230a_100011453126_200025704644 [0,1,0,0,1,0|2,0,0]=4 3564 B11R1.645 Cc1cc(n(n1)C)CN(C)[13CH3] 269982a_100011453126_200025704644 [0,1,0,0,1,0|2,0,0]=4 3565 B11R1.645 Cc1cc(n(n1)C)CN(C)[13CH3] 34a_100011453126_200025704644 [0,1,0,0,1,0|2,0,0]=4 3566 B11R1.645 Cc1cc(n(n1)C)OC(C)C 34a_100000738638_100000210206 [0,1,0,0,1,0|2,0,0]=4 3567 B11R1.645 Cc1cc(n(n1)C)SC(C)C 62a_100000210206_100009818511 [0,1,0,0,1,0|2,0,0]=4 3568 B11R1.645 Cc1cc(n(n1)C)SC(C)C 62a_100009818511_100000210206 [0,1,0,0,1,0|2,0,0]=4 3569 B11R1.645 Cc1cc(sc1CN(C)C)Br 270004a_100102631434_100010221198 [0,1,0,0,1,0|2,0,0]=4 3570 B11R1.645 Cc1cn(c(n1)SC(C)C)C 62a_100000210206_100009816808 [0,1,0,0,1,0|2,0,0]=4 3571 B11R1.645 Cc1cn(c(n1)SC(C)C)C 62a_100009816808_100000210206 [0,1,0,0,1,0|2,0,0]=4 3572 B11R1.645 Cc1cn(nc1SC(C)C)C 62a_100000210206_100011072604 [0,1,0,0,1,0|2,0,0]=4 3573 B11R1.645 Cc1cn(nc1SC(C)C)C 62a_100011072604_100000210206 [0,1,0,0,1,0|2,0,0]=4 3574 B11R1.645 Cc1nc(c([nH]1)C)SC(C)C 62a_100000210206_200009820778 [0,1,0,0,1,0|1,0,1]=4 3575 B11R1.645 Cc1nc(c([nH]1)C)SC(C)C 62a_200009820778_100000210206 [0,1,0,0,1,0|1,0,1]=4 3576 B11R1.645 Cc1nc(c(s1)C)SC(C)C 62a_100000210206_100010270876 [0,1,0,0,1,0|2,0,0]=4 3577 B11R1.645 Cc1nc(c(s1)C)SC(C)C 62a_100010270876_100000210206 [0,1,0,0,1,0|2,0,0]=4 3578 B11R1.645 Cc1nc(c(s1)CN(C)C)C 2230a_100102631434_100000760948 [0,1,0,0,1,0|2,0,0]=4 3579 B11R1.645 Cc1nc(c(s1)CN(C)C)C 269982a_100102631434_100000760948 [0,1,0,0,1,0|2,0,0]=4 3580 B11R1.645 Cc1nc(c(s1)SC(C)C)C 62a_100000210206_100009814099 [0,1,0,0,1,0|2,0,0]=4 3581 B11R1.645 Cc1nc(c(s1)SC(C)C)C 62a_100009814099_100000210206 [0,1,0,0,1,0|2,0,0]=4 3582 B11R1.645 Cc1nc(sc1SC(C)C)N 62a_100000210206_100159269596 [0,1,0,0,1,0|2,0,0]=4 3583 B11R1.645 Cc1nc(sc1SC(C)C)N 62a_100159269596_100000210206 [0,1,0,0,1,0|2,0,0]=4 3584 B11R1.645 Cc1nn(cc1CN(C)C)C 2230a_100102631434_100015186178 [0,1,0,0,1,0|2,0,0]=4 3585 B11R1.645 Cc1nn(cc1CN(C)C)C 2230a_114849113250_200000210301 [0,1,0,0,1,0|2,0,0]=4 3586 B11R1.645 Cc1nn(cc1CN(C)C)C 269982a_100102631434_100015186178 [0,1,0,0,1,0|2,0,0]=4 3587 B11R1.645 Cc1nn(cc1CN(C)C)C 269982a_114849113250_200000210301 [0,1,0,0,1,0|2,0,0]=4 3588 B11R1.645 Cc1nn(cc1CN(C)C)C 270004a_100102631434_100000745535 [0,1,0,0,1,0|2,0,0]=4 3589 B11R1.645 Cc1nn(cc1CN(C)C)C 34a_114849113250_200000210301 [0,1,0,0,1,0|2,0,0]=4 3590 B11R1.645 Cc1nn(cc1CN(C)[13CH3])C 2230a_114849113250_200025704644 [0,1,0,0,1,0|2,0,0]=4 3591 B11R1.645 Cc1nn(cc1CN(C)[13CH3])C 269982a_114849113250_200025704644 [0,1,0,0,1,0|2,0,0]=4 3592 B11R1.645 Cc1nn(cc1CN(C)[13CH3])C 34a_114849113250_200025704644 [0,1,0,0,1,0|2,0,0]=4 3593 B11R1.645 Cc1nn(cc1SC(C)C)C 62a_100000210206_100011996311 [0,1,0,0,1,0|2,0,0]=4 3594 B11R1.645 Cc1nn(cc1SC(C)C)C 62a_100011996311_100000210206 [0,1,0,0,1,0|2,0,0]=4 3595 B11R1.645 Cc1nn(nc1SC(C)C)C 62a_100000210206_200009884731 [0,1,0,0,1,0|2,0,0]=4 3596 B11R1.645 Cc1nn(nc1SC(C)C)C 62a_200009884731_100000210206 [0,1,0,0,1,0|2,0,0]=4 3597 B11R1.645 Cc1sc(nc1SC(C)C)N 62a_100000210206_100009817509 [0,1,0,0,1,0|2,0,0]=4 3598 B11R1.645 Cc1sc(nc1SC(C)C)N 62a_100009817509_100000210206 [0,1,0,0,1,0|2,0,0]=4 3599 B13R1.90 C=C(C)CNc1nccnc1CC 27a_100000765925_100011995844 [0,1,0,0,0,1|0,0,2]=4 3600 B13R1.90 C=C(C)CNc1nccnc1OC 27a_100000765925_100009858322 [0,1,0,0,0,1|0,0,2]=4 3601 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100000748629_100011995844 [0,1,0,0,0,1|0,0,2]=4 3602 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100011995844_100000211660 [0,1,0,0,0,1|0,0,2]=4 3603 B13R1.90 C=C(C)CSc1nccnc1CN 62a_100000729963_100000211660 [0,1,0,0,0,1|0,0,2]=4 3604 B13R1.90 C=C(C)CSc1nccnc1CN 62a_100000748629_100000729963 [0,1,0,0,0,1|0,0,2]=4 3605 B13R1.90 C=C(C)CSc1nccnc1CO 62a_100000057004_100000211660 [0,1,0,0,0,1|0,0,2]=4 3606 B13R1.90 C=C(C)CSc1nccnc1CO 62a_100000748629_100000057004 [0,1,0,0,0,1|0,0,2]=4 3607 B13R1.90 C=C(C)CSc1nccnc1NC 62a_100000748629_100011529439 [0,1,0,0,0,1|0,0,2]=4 3608 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100000748629_100000749998 [0,1,0,0,0,1|0,0,2]=4 3609 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100009858322_100000211660 [0,1,0,0,0,1|0,0,2]=4 3610 B13R1.90 CC(C)C=Cc1cccnc1CN 271570a_100016257149_100020591323 [0,1,0,0,0,1|1,0,1]=4 3611 B13R1.90 CC(C)C=Cc1cccnc1CO 271570a_100016257149_100011996772 [0,1,0,0,0,1|1,0,1]=4 3612 B13R1.90 CC(C)C=Cc1ncccc1CN 271570a_100016257149_100015189234 [0,1,0,0,0,1|1,0,1]=4 3613 B13R1.90 CC(C)C=Cc1ncccc1CO 271570a_100016257149_100000748726 [0,1,0,0,0,1|1,0,1]=4 3614 B13R1.90 CC(C)C=Cc1nccnc1C#N 271570a_100016257149_100000040484 [0,1,0,0,0,1|0,0,2]=4 3615 B13R1.90 CC(C)C=Cc1nccnc1CN 271570a_100016257149_100000729963 [0,1,0,0,0,1|0,0,1]=3 3616 B13R1.90 CC(C)C=Cc1nccnc1CO 271570a_100016257149_100000057004 [0,1,0,0,0,1|0,0,1]=3 3617 B13R1.90 CC(C)C=Cc1nccnc1NN 271570a_100016257149_100000755098 [0,1,0,0,0,1|1,0,1]=4 3618 B13R1.90 CC(C)CCc1ncncc1S[13CH3] 62a_200009816994_200025704644 [0,1,0,0,0,1|2,0,0]=4 3619 B13R1.90 CC(C)CCc1ncncc1S[13CH3] 62a_200025704644_200009816994 [0,1,0,0,0,1|2,0,0]=4 3620 B13R1.90 CC(C)CNc1ccccc1CO 34a_100000212039_100000210624 [0,1,0,0,0,1|2,0,0]=4 3621 B13R1.90 CC(C)CNc1ncccc1C#N 27a_100000210953_100000211984 [0,1,0,0,0,1|1,0,1]=4 3622 B13R1.90 CC(C)CNc1nccnc1C#N 27a_100000210953_100000040484 [0,1,0,0,0,1|0,0,1]=3 3623 B13R1.90 CC(C)COc1ccccc1CN 34a_100000185550_100000210624 [0,1,0,0,0,1|2,0,0]=4 3624 B13R1.90 CC(C)COc1ccccc1CO 34a_100011216872_100000210624 [0,1,0,0,0,1|2,0,0]=4 3625 B13R1.90 CC(C)COc1ccccc1N[13CH3] 34a_100000742603_200025704644 [0,1,0,0,0,1|2,0,0]=4 3626 B13R1.90 CC(C)COc1cccnc1C#N 34a_100000722750_100000210624 [0,1,0,0,0,1|1,0,1]=4 3627 B13R1.90 CC(C)COc1cccnc1C#N 7a_100000722750_100000210760 [0,1,0,0,0,1|1,0,1]=4 3628 B13R1.90 CC(C)COc1cccnc1CBr 34a_200020655725_100000210624 [0,1,0,0,0,1|1,0,0]=3 3629 B13R1.90 CC(C)COc1cccnc1CBr 7a_200020655725_100000210760 [0,1,0,0,0,1|1,0,0]=3 3630 B13R1.90 CC(C)COc1cccnc1CO 34a_100000731849_100000210624 [0,1,0,0,0,1|1,0,0]=3 3631 B13R1.90 CC(C)CSc1ccccc1CN 62a_100000210624_100000689332 [0,1,0,0,0,1|2,0,0]=4 3632 B13R1.90 CC(C)CSc1ccccc1CN 62a_100000689332_100000210760 [0,1,0,0,0,1|2,0,0]=4 3633 B13R1.90 CC(C)CSc1ccccc1CO 62a_100000187465_100000210760 [0,1,0,0,0,1|2,0,0]=4 3634 B13R1.90 CC(C)CSc1ccccc1CO 62a_100000210624_100000187465 [0,1,0,0,0,1|2,0,0]=4 3635 B13R1.90 CC(C)CSc1cccnc1C#N 62a_100000210624_100000685805 [0,1,0,0,0,1|1,0,1]=4 3636 B13R1.90 CC(C)CSc1cccnc1C=O 62a_100000210624_100011934733 [0,1,0,0,0,1|1,0,1]=4 3637 B13R1.90 CC(C)CSc1cccnc1C=O 62a_100011934733_100000210760 [0,1,0,0,0,1|1,0,1]=4 3638 B13R1.90 CC(C)CSc1cccnc1CN 62a_100000210624_100020591323 [0,1,0,0,0,1|1,0,0]=3 3639 B13R1.90 CC(C)CSc1cccnc1CN 62a_100020591323_100000210760 [0,1,0,0,0,1|1,0,0]=3 3640 B13R1.90 CC(C)CSc1cccnc1CO 62a_100000210624_100011996772 [0,1,0,0,0,1|1,0,0]=3 3641 B13R1.90 CC(C)CSc1cccnc1CO 62a_100011996772_100000210760 [0,1,0,0,0,1|1,0,0]=3 3642 B13R1.90 CC(C)CSc1cccnc1NN 62a_100000210624_100011464834 [0,1,0,0,0,1|2,0,0]=4 3643 B13R1.90 CC(C)CSc1cccnc1NN 62a_100011464834_100000210760 [0,1,0,0,0,1|2,0,0]=4 3644 B13R1.90 CC(C)CSc1ncccc1C#N 62a_100000210624_100000211984 [0,1,0,0,0,1|1,0,1]=4 3645 B13R1.90 CC(C)CSc1ncccc1C=O 62a_100000210624_100009816751 [0,1,0,0,0,1|1,0,1]=4 3646 B13R1.90 CC(C)CSc1ncccc1C=O 62a_100009816751_100000210760 [0,1,0,0,0,1|1,0,1]=4 3647 B13R1.90 CC(C)CSc1ncccc1CN 62a_100000210624_100015189234 [0,1,0,0,0,1|1,0,0]=3 3648 B13R1.90 CC(C)CSc1ncccc1CN 62a_100015189234_100000210760 [0,1,0,0,0,1|1,0,0]=3 3649 B13R1.90 CC(C)CSc1ncccc1CO 62a_100000210624_100000748726 [0,1,0,0,0,1|1,0,0]=3 3650 B13R1.90 CC(C)CSc1ncccc1CO 62a_100000748726_100000210760 [0,1,0,0,0,1|1,0,0]=3 3651 B13R1.90 CC(C)CSc1nccnc1C#N 62a_100000210624_100000040484 [0,1,0,0,0,1|0,0,1]=3 3652 B13R1.90 CC(C)CSc1nccnc1C=O 62a_100000051000_100000210760 [0,1,0,0,0,1|0,0,1]=3 3653 B13R1.90 CC(C)CSc1nccnc1C=O 62a_100000210624_100000051000 [0,1,0,0,0,1|0,0,1]=3 3654 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000210624_100000729963 [0,1,0,0,0,1|0,0,0]=2 3655 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000729963_100000210760 [0,1,0,0,0,1|0,0,0]=2 3656 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000057004_100000210760 [0,1,0,0,0,1|0,0,0]=2 3657 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000210624_100000057004 [0,1,0,0,0,1|0,0,0]=2 3658 B13R1.90 CC(C)CSc1nccnc1NN 62a_100000210624_100000755098 [0,1,0,0,0,1|1,0,0]=3 3659 B13R1.90 CC(C)NCc1ccccc1CO 2230a_100138425928_100009816955 [0,1,0,0,0,1|2,0,0]=4 3660 B13R1.90 CC(C)NCc1ccccc1CO 34a_100138425928_100009816955 [0,1,0,0,0,1|2,0,0]=4 3661 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_100000195800_200025704644 [0,1,0,0,0,1|2,0,0]=4 3662 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_200025704644_100000195800 [0,1,0,0,0,1|2,0,0]=4 3663 B13R1.90 CC(C)NCc1cccnc1C#N 2230a_100138425928_100011768898 [0,1,0,0,0,1|1,0,1]=4 3664 B13R1.90 CC(C)NCc1cccnc1C#N 34a_100138425928_100011768898 [0,1,0,0,0,1|1,0,1]=4 3665 B13R1.90 CC(C)NCc1ncccc1C#N 2230a_100138425928_100000099805 [0,1,0,0,0,1|1,0,1]=4 3666 B13R1.90 CC(C)OCc1ccccc1CBr 34a_100009816955_100000210206 [0,1,0,0,0,1|2,0,0]=4 3667 B13R1.90 CC(C)OCc1ccccc1CBr 7a_100009816955_100000210206 [0,1,0,0,0,1|2,0,0]=4 3668 B13R1.90 CC(C)OCc1ccccc1CN 34a_100000743596_100000210206 [0,1,0,0,0,1|2,0,0]=4 3669 B13R1.90 CC(C)OCc1ccccc1CO 34a_100000212225_100009816955 [0,1,0,0,0,1|2,0,0]=4 3670 B13R1.90 CC(C)OCc1cccnc1C#N 34a_100000212225_100011768898 [0,1,0,0,0,1|1,0,1]=4 3671 B13R1.90 CC(C)SCc1ccccc1CO 62a_100000210206_100009816955 [0,1,0,0,0,1|2,0,0]=4 3672 B13R1.90 CC(C)SCc1ccccc1CO 62a_100009816955_100000210206 [0,1,0,0,0,1|2,0,0]=4 3673 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200000173093_200025704644 [0,1,0,0,0,1|2,0,0]=4 3674 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200025704644_200000173093 [0,1,0,0,0,1|2,0,0]=4 3675 B13R1.90 CC(C)SCc1cccnc1C#N 62a_100000210206_100011768898 [0,1,0,0,0,1|1,0,1]=4 3676 B13R1.90 CC(C)SCc1ncccc1C#N 62a_100000210206_100000099805 [0,1,0,0,0,1|1,0,1]=4 3677 B13R1.90 CC(O)C=Cc1nccnc1CN 271570a_200011019289_100000729963 [0,1,0,0,0,1|1,0,1]=4 3678 B13R1.90 CC(O)C=Cc1nccnc1CO 271570a_200011019289_100000057004 [0,1,0,0,0,1|1,0,1]=4 3679 B13R1.90 CC(O)CNc1nccnc1C#N 27a_100000210904_100000040484 [0,1,0,0,0,1|1,0,1]=4 3680 B13R1.90 CC(O)COc1cccnc1CBr 34a_200020655725_100011218427 [0,1,0,0,0,1|2,0,0]=4 3681 B13R1.90 CC(O)COc1cccnc1CBr 7a_200020655725_100011218427 [0,1,0,0,0,1|2,0,0]=4 3682 B13R1.90 CC(O)COc1cccnc1CO 34a_100000731849_100011218427 [0,1,0,0,0,1|2,0,0]=4 3683 B13R1.90 CC(O)CSc1cccnc1CN 62a_100011218427_100020591323 [0,1,0,0,0,1|2,0,0]=4 3684 B13R1.90 CC(O)CSc1cccnc1CN 62a_100020591323_100011218427 [0,1,0,0,0,1|2,0,0]=4 3685 B13R1.90 CC(O)CSc1cccnc1CO 62a_100011218427_100011996772 [0,1,0,0,0,1|2,0,0]=4 3686 B13R1.90 CC(O)CSc1cccnc1CO 62a_100011996772_100011218427 [0,1,0,0,0,1|2,0,0]=4 3687 B13R1.90 CC(O)CSc1ncccc1CN 62a_100011218427_100015189234 [0,1,0,0,0,1|2,0,0]=4 3688 B13R1.90 CC(O)CSc1ncccc1CN 62a_100015189234_100011218427 [0,1,0,0,0,1|2,0,0]=4 3689 B13R1.90 CC(O)CSc1ncccc1CO 62a_100000748726_100011218427 [0,1,0,0,0,1|2,0,0]=4 3690 B13R1.90 CC(O)CSc1ncccc1CO 62a_100011218427_100000748726 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.90 CC(O)CSc1nccnc1C#N 62a_100011218427_100000040484 [0,1,0,0,0,1|1,0,1]=4 3692 B13R1.90 CC(O)CSc1nccnc1C=O 62a_100000051000_100011218427 [0,1,0,0,0,1|1,0,1]=4 3693 B13R1.90 CC(O)CSc1nccnc1C=O 62a_100011218427_100000051000 [0,1,0,0,0,1|1,0,1]=4 3694 B13R1.90 CC(O)CSc1nccnc1CN 62a_100000729963_100011218427 [0,1,0,0,0,1|1,0,0]=3 3695 B13R1.90 CC(O)CSc1nccnc1CN 62a_100011218427_100000729963 [0,1,0,0,0,1|1,0,0]=3 3696 B13R1.90 CC(O)CSc1nccnc1CO 62a_100000057004_100011218427 [0,1,0,0,0,1|1,0,0]=3 3697 B13R1.90 CC(O)CSc1nccnc1CO 62a_100011218427_100000057004 [0,1,0,0,0,1|1,0,0]=3 3698 B13R1.90 CC(O)CSc1nccnc1NN 62a_100011218427_100000755098 [0,1,0,0,0,1|2,0,0]=4 3699 B13R1.90 CCc1ccccc1CNC(C)C 207a_100138425928_100011219594 [0,1,0,0,0,1|2,0,0]=4 3700 B13R1.90 CCc1ccccc1COC(C)C 34a_100011663872_100000210206 [0,1,0,0,0,1|2,0,0]=4 3701 B13R1.90 CCc1ccccc1COC(C)C 7a_100011663872_100000210206 [0,1,0,0,0,1|2,0,0]=4 3702 B13R1.90 CCc1ccccc1NCC(C)C 2230a_100000212081_100000210760 [0,1,0,0,0,1|2,0,0]=4 3703 B13R1.90 CCc1ccccc1NCC(C)C 34a_100000212081_100000210624 [0,1,0,0,0,1|2,0,0]=4 3704 B13R1.90 CCc1ccccc1NCC(C)C 7a_100000212081_100000210760 [0,1,0,0,0,1|2,0,0]=4 3705 B13R1.90 CCc1ccccc1OCC(C)C 34a_100000210936_100000210624 [0,1,0,0,0,1|2,0,0]=4 3706 B13R1.90 CCc1ccccc1OCC(C)C 7a_100000210936_100000210760 [0,1,0,0,0,1|2,0,0]=4 3707 B13R1.90 CCc1ccccc1SCC(C)C 62a_100000210624_100011215823 [0,1,0,0,0,1|2,0,0]=4 3708 B13R1.90 CCc1ccccc1SCC(C)C 62a_100011215823_100000210760 [0,1,0,0,0,1|2,0,0]=4 3709 B13R1.90 CCc1cncnc1NCC(C)C 27a_100000210953_200000100055 [0,1,0,0,0,1|2,0,0]=4 3710 B13R1.90 CCc1cncnc1SCC(C)C 62a_100000210624_200000100055 [0,1,0,0,0,1|2,0,0]=4 3711 B13R1.90 CCc1cncnc1SCC(C)C 62a_200000100055_100000210760 [0,1,0,0,0,1|2,0,0]=4 3712 B13R1.90 CCc1ncccc1C=CC(C)C 271570a_100016257149_100009877225 [0,1,0,0,0,1|1,0,1]=4 3713 B13R1.90 CCc1ncccc1SCC(C)C 62a_100000210624_100009877225 [0,1,0,0,0,1|1,0,0]=3 3714 B13R1.90 CCc1ncccc1SCC(C)C 62a_100009877225_100000210760 [0,1,0,0,0,1|1,0,0]=3 3715 B13R1.90 CCc1ncccc1SCC(C)O 62a_100009877225_100011218427 [0,1,0,0,0,1|2,0,0]=4 3716 B13R1.90 CCc1ncccc1SCC(C)O 62a_100011218427_100009877225 [0,1,0,0,0,1|2,0,0]=4 3717 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009817552_100009877225 [0,1,0,0,0,1|2,0,0]=4 3718 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009877225_100009817552 [0,1,0,0,0,1|2,0,0]=4 3719 B13R1.90 CCc1nccnc1C=CC(C)C 271570a_100016257149_100011995844 [0,1,0,0,0,1|0,0,1]=3 3720 B13R1.90 CCc1nccnc1C=CC(C)O 271570a_200011019289_100011995844 [0,1,0,0,0,1|1,0,1]=4 3721 B13R1.90 CCc1nccnc1NCC(C)C 27a_100000210953_100011995844 [0,1,0,0,0,1|0,0,0]=2 3722 B13R1.90 CCc1nccnc1NCC(C)O 27a_100000210904_100011995844 [0,1,0,0,0,1|1,0,0]=3 3723 B13R1.90 CCc1nccnc1NCC(F)F 27a_100000765723_100011995844 [0,1,0,0,0,1|2,0,0]=4 3724 B13R1.90 CCc1nccnc1SCC(C)C 62a_100000210624_100011995844 [0,1,0,0,0,1|0,0,0]=2 3725 B13R1.90 CCc1nccnc1SCC(C)C 62a_100011995844_100000210760 [0,1,0,0,0,1|0,0,0]=2 3726 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011218427_100011995844 [0,1,0,0,0,1|1,0,0]=3 3727 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011995844_100011218427 [0,1,0,0,0,1|1,0,0]=3 3728 B13R1.90 CCc1nccnc1SCC(F)F 62a_100011934356_100011995844 [0,1,0,0,0,1|2,0,0]=4 3729 B13R1.90 CCc1nccnc1SCC(F)F 62a_100011995844_100011934356 [0,1,0,0,0,1|2,0,0]=4 3730 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100009817552_100011995844 [0,1,0,0,0,1|1,0,0]=3 3731 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100011995844_100009817552 [0,1,0,0,0,1|1,0,0]=3 3732 B13R1.90 CCc1ncncc1NCC(C)C 27a_100000210953_100009816992 [0,1,0,0,0,1|2,0,0]=4 3733 B13R1.90 CCc1ncncc1SCC(C)C 62a_100000210624_100009816992 [0,1,0,0,0,1|2,0,0]=4 3734 B13R1.90 CCc1ncncc1SCC(C)C 62a_100009816992_100000210760 [0,1,0,0,0,1|2,0,0]=4 3735 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000033821_100000210624 [0,1,0,0,0,1|2,0,0]=4 3736 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000742603_200000210301 [0,1,0,0,0,1|2,0,0]=4 3737 B13R1.90 CNc1ccccc1SCC(C)C 62a_100000210624_100020606079 [0,1,0,0,0,1|2,0,0]=4 3738 B13R1.90 CNc1ccccc1SCC(C)C 62a_100020606079_100000210760 [0,1,0,0,0,1|2,0,0]=4 3739 B13R1.90 CNc1cccnc1C=CC(C)C 271570a_100016257149_200011806188 [0,1,0,0,0,1|1,0,1]=4 3740 B13R1.90 CNc1cccnc1SCC(C)C 62a_100000210624_200011806188 [0,1,0,0,0,1|1,0,0]=3 3741 B13R1.90 CNc1cccnc1SCC(C)O 62a_100011218427_200011806188 [0,1,0,0,0,1|2,0,0]=4 3742 B13R1.90 CNc1cccnc1SC[C@@H](C)O 62a_100009817552_200011806188 [0,1,0,0,0,1|2,0,0]=4 3743 B13R1.90 CNc1cncnc1CCC(C)C 27a_100102657272_200009816994 [0,1,0,0,0,1|2,0,0]=4 3744 B13R1.90 CNc1ncccc1C=CC(C)C 271570a_100016257149_100000700899 [0,1,0,0,0,1|1,0,1]=4 3745 B13R1.90 CNc1ncccc1SCC(C)C 62a_100000210624_100000700899 [0,1,0,0,0,1|1,0,0]=3 3746 B13R1.90 CNc1ncccc1SCC(C)C 62a_100000700899_100000210760 [0,1,0,0,0,1|1,0,0]=3 3747 B13R1.90 CNc1ncccc1SCC(C)O 62a_100000700899_100011218427 [0,1,0,0,0,1|2,0,0]=4 3748 B13R1.90 CNc1ncccc1SCC(C)O 62a_100011218427_100000700899 [0,1,0,0,0,1|2,0,0]=4 3749 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100000700899_100009817552 [0,1,0,0,0,1|2,0,0]=4 3750 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100009817552_100000700899 [0,1,0,0,0,1|2,0,0]=4 3751 B13R1.90 CNc1nccnc1C=CC(C)C 271570a_100016257149_100011529439 [0,1,0,0,0,1|0,0,1]=3 3752 B13R1.90 CNc1nccnc1C=CC(C)O 271570a_200011019289_100011529439 [0,1,0,0,0,1|1,0,1]=4 3753 B13R1.90 CNc1nccnc1SCC(C)C 62a_100000210624_100011529439 [0,1,0,0,0,1|0,0,0]=2 3754 B13R1.90 CNc1nccnc1SCC(C)O 62a_100011218427_100011529439 [0,1,0,0,0,1|1,0,0]=3 3755 B13R1.90 CNc1nccnc1SCC(F)F 62a_100011934356_100011529439 [0,1,0,0,0,1|2,0,0]=4 3756 B13R1.90 CNc1nccnc1SC[C@@H](C)O 62a_100009817552_100011529439 [0,1,0,0,0,1|1,0,0]=3 3757 B13R1.90 CNc1ncncc1SCC(C)C 62a_100000210624_200012180720 [0,1,0,0,0,1|2,0,0]=4 3758 B13R1.90 CNc1ncncc1SCC(C)C 62a_200012180720_100000210760 [0,1,0,0,0,1|2,0,0]=4 3759 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [0,1,0,0,0,1|2,0,0]=4 3760 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [0,1,0,0,0,1|2,0,0]=4 3761 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [0,1,0,0,0,1|2,0,0]=4 3762 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [0,1,0,0,0,1|2,0,0]=4 3763 B13R1.90 COc1ccccc1COC(C)C 34a_100000211301_100000210206 [0,1,0,0,0,1|2,0,0]=4 3764 B13R1.90 COc1ccccc1COC(C)C 34a_100000212225_100000210004 [0,1,0,0,0,1|2,0,0]=4 3765 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210004_100000210206 [0,1,0,0,0,1|2,0,0]=4 3766 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210206_100000210004 [0,1,0,0,0,1|2,0,0]=4 3767 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [0,1,0,0,0,1|2,0,0]=4 3768 B13R1.90 COc1ccccc1OCC(C)C 34a_100000210385_100000210624 [0,1,0,0,0,1|2,0,0]=4 3769 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210334_100000210760 [0,1,0,0,0,1|2,0,0]=4 3770 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210624_100000210334 [0,1,0,0,0,1|2,0,0]=4 3771 B13R1.90 COc1cccnc1C=CC(C)C 271570a_100016257149_100000690851 [0,1,0,0,0,1|1,0,1]=4 3772 B13R1.90 COc1cccnc1CNC(C)C 207a_100138425928_100011912573 [0,1,0,0,0,1|1,0,0]=3 3773 B13R1.90 COc1cccnc1COC(C)C 34a_100011998681_100000210206 [0,1,0,0,0,1|1,0,0]=3 3774 B13R1.90 COc1cccnc1OCC(C)C 34a_100025773188_100000210624 [0,1,0,0,0,1|1,0,0]=3 3775 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [0,1,0,0,0,1|2,0,0]=4 3776 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [0,1,0,0,0,1|2,0,0]=4 3777 B13R1.90 COc1cccnc1SCC(C)C 62a_100000210624_100000690851 [0,1,0,0,0,1|1,0,0]=3 3778 B13R1.90 COc1cccnc1SCC(C)C 62a_100000767102_100000210760 [0,1,0,0,0,1|1,0,0]=3 3779 B13R1.90 COc1cccnc1SCC(C)O 62a_100000767102_100011218427 [0,1,0,0,0,1|2,0,0]=4 3780 B13R1.90 COc1cccnc1SCC(C)O 62a_100011218427_100000690851 [0,1,0,0,0,1|2,0,0]=4 3781 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100000767102_100009817552 [0,1,0,0,0,1|2,0,0]=4 3782 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100009817552_100000690851 [0,1,0,0,0,1|2,0,0]=4 3783 B13R1.90 COc1cncnc1NCC(C)C 27a_100000210953_100012001275 [0,1,0,0,0,1|2,0,0]=4 3784 B13R1.90 COc1cncnc1SCC(C)C 62a_100000210624_100012001275 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.90 COc1cncnc1SCC(C)C 62a_100012001275_100000210760 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.90 COc1ncccc1C=CC(C)C 271570a_100016257149_100000047025 [0,1,0,0,0,1|1,0,1]=4 3787 B13R1.90 COc1ncccc1CNC(C)C 207a_100138425928_100011290804 [0,1,0,0,0,1|1,0,0]=3 3788 B13R1.90 COc1ncccc1CNC(C)C 2230a_100138425928_100020631285 [0,1,0,0,0,1|1,0,0]=3 3789 B13R1.90 COc1ncccc1CNC(C)C 34a_100138425928_100020631285 [0,1,0,0,0,1|1,0,0]=3 3790 B13R1.90 COc1ncccc1COC(C)C 34a_100000212225_100020631285 [0,1,0,0,0,1|1,0,0]=3 3791 B13R1.90 COc1ncccc1COC(C)C 34a_100000717863_100000210206 [0,1,0,0,0,1|1,0,0]=3 3792 B13R1.90 COc1ncccc1CSC(C)C 62a_100000210206_100020631285 [0,1,0,0,0,1|1,0,0]=3 3793 B13R1.90 COc1ncccc1CSC(C)C 62a_100020631285_100000210206 [0,1,0,0,0,1|1,0,0]=3 3794 B13R1.90 COc1ncccc1OCC(C)C 34a_100000698397_100000210624 [0,1,0,0,0,1|1,0,0]=3 3795 B13R1.90 COc1ncccc1OCC(C)C 7a_100000698397_100000210760 [0,1,0,0,0,1|1,0,0]=3 3796 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [0,1,0,0,0,1|2,0,0]=4 3797 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [0,1,0,0,0,1|2,0,0]=4 3798 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [0,1,0,0,0,1|2,0,0]=4 3799 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [0,1,0,0,0,1|2,0,0]=4 3800 B13R1.90 COc1ncccc1SCC(C)C 62a_100000047025_100000210760 [0,1,0,0,0,1|1,0,0]=3 3801 B13R1.90 COc1ncccc1SCC(C)C 62a_100000210624_100000047025 [0,1,0,0,0,1|1,0,0]=3 3802 B13R1.90 COc1ncccc1SCC(C)O 62a_100000047025_100011218427 [0,1,0,0,0,1|2,0,0]=4 3803 B13R1.90 COc1ncccc1SCC(C)O 62a_100011218427_100000047025 [0,1,0,0,0,1|2,0,0]=4 3804 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100000047025_100009817552 [0,1,0,0,0,1|2,0,0]=4 3805 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100009817552_100000047025 [0,1,0,0,0,1|2,0,0]=4 3806 B13R1.90 COc1nccnc1C=CC(C)C 271570a_100016257149_100000749998 [0,1,0,0,0,1|0,0,1]=3 3807 B13R1.90 COc1nccnc1C=CC(C)O 271570a_200011019289_100000749998 [0,1,0,0,0,1|1,0,1]=4 3808 B13R1.90 COc1nccnc1NCC(C)C 27a_100000210953_100009858322 [0,1,0,0,0,1|0,0,0]=2 3809 B13R1.90 COc1nccnc1NCC(C)O 27a_100000210904_100009858322 [0,1,0,0,0,1|1,0,0]=3 3810 B13R1.90 COc1nccnc1NCC(F)F 27a_100000765723_100009858322 [0,1,0,0,0,1|2,0,0]=4 3811 B13R1.90 COc1nccnc1SCC(C)C 62a_100000210624_100000749998 [0,1,0,0,0,1|0,0,0]=2 3812 B13R1.90 COc1nccnc1SCC(C)C 62a_100009858322_100000210760 [0,1,0,0,0,1|0,0,0]=2 3813 B13R1.90 COc1nccnc1SCC(C)O 62a_100009858322_100011218427 [0,1,0,0,0,1|1,0,0]=3 3814 B13R1.90 COc1nccnc1SCC(C)O 62a_100011218427_100000749998 [0,1,0,0,0,1|1,0,0]=3 3815 B13R1.90 COc1nccnc1SCC(F)F 62a_100009858322_100011934356 [0,1,0,0,0,1|2,0,0]=4 3816 B13R1.90 COc1nccnc1SCC(F)F 62a_100011934356_100000749998 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009817552_100000749998 [0,1,0,0,0,1|1,0,0]=3 3818 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009858322_100009817552 [0,1,0,0,0,1|1,0,0]=3 3819 B13R1.90 COc1ncncc1SCC(C)C 62a_100000210624_100000719902 [0,1,0,0,0,1|2,0,0]=4 3820 B13R1.90 COc1ncncc1SCC(C)C 62a_100000719902_100000210760 [0,1,0,0,0,1|2,0,0]=4 3821 B13R1.90 CSc1ccccc1CNC(C)C 207a_100138425928_100011217347 [0,1,0,0,0,1|2,0,0]=4 3822 B13R1.90 CSc1ccccc1CNC(C)C 2230a_100138425928_100000699184 [0,1,0,0,0,1|2,0,0]=4 3823 B13R1.90 CSc1ccccc1CNC(C)C 34a_100138425928_100000699184 [0,1,0,0,0,1|2,0,0]=4 3824 B13R1.90 CSc1ccccc1CNC(C)C 34a_102495365025_100000210206 [0,1,0,0,0,1|2,0,0]=4 3825 B13R1.90 CSc1ccccc1CNC(C)C 62a_100000195800_200000210301 [0,1,0,0,0,1|2,0,0]=4 3826 B13R1.90 CSc1ccccc1CNC(C)C 62a_200000210301_100000195800 [0,1,0,0,0,1|2,0,0]=4 3827 B13R1.90 CSc1ccccc1COC(C)C 34a_100000212225_100000699184 [0,1,0,0,0,1|2,0,0]=4 3828 B13R1.90 CSc1ccccc1COC(C)C 34a_100000699167_100000210206 [0,1,0,0,0,1|2,0,0]=4 3829 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000210206_100000699184 [0,1,0,0,0,1|2,0,0]=4 3830 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000699184_100000210206 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000173093_200000210301 [0,1,0,0,0,1|2,0,0]=4 3832 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000210301_200000173093 [0,1,0,0,0,1|2,0,0]=4 3833 B13R1.90 CSc1ccccc1NCC(C)C 34a_100000211160_100000210624 [0,1,0,0,0,1|2,0,0]=4 3834 B13R1.90 CSc1ccccc1OCC(C)C 34a_100011216402_100000210624 [0,1,0,0,0,1|2,0,0]=4 3835 B13R1.90 CSc1ccccc1SCC(C)C 62a_100000210624_100011217816 [0,1,0,0,0,1|2,0,0]=4 3836 B13R1.90 CSc1ccccc1SCC(C)C 62a_100011217816_100000210760 [0,1,0,0,0,1|2,0,0]=4 3837 B13R1.90 CSc1cncnc1CCC(C)C 62a_200000210301_200009816994 [0,1,0,0,0,1|2,0,0]=4 3838 B13R1.90 CSc1cncnc1CCC(C)C 62a_200009816994_200000210301 [0,1,0,0,0,1|2,0,0]=4 3839 B13R1.90 CSc1ncccc1C=CC(C)C 271570a_100016257149_100011465278 [0,1,0,0,0,1|1,0,1]=4 3840 B13R1.90 CSc1ncccc1SCC(C)C 62a_100000210624_100011465278 [0,1,0,0,0,1|1,0,0]=3 3841 B13R1.90 CSc1ncccc1SCC(C)C 62a_100011465278_100000210760 [0,1,0,0,0,1|1,0,0]=3 3842 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011218427_100011465278 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011465278_100011218427 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465278 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100011465278_100009817552 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.90 C[C@@H](O)COc1cccnc1CBr 34a_200020655725_100009817552 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.90 C[C@@H](O)COc1cccnc1CBr 7a_200020655725_100009817552 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.90 C[C@@H](O)COc1cccnc1CO 34a_100000731849_100009817552 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.90 C[C@@H](O)CSc1cccnc1CN 62a_100009817552_100020591323 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.90 C[C@@H](O)CSc1cccnc1CN 62a_100020591323_100009817552 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.90 C[C@@H](O)CSc1cccnc1CO 62a_100009817552_100011996772 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.90 C[C@@H](O)CSc1cccnc1CO 62a_100011996772_100009817552 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.90 C[C@@H](O)CSc1ncccc1CN 62a_100009817552_100015189234 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.90 C[C@@H](O)CSc1ncccc1CN 62a_100015189234_100009817552 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.90 C[C@@H](O)CSc1ncccc1CO 62a_100000748726_100009817552 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.90 C[C@@H](O)CSc1ncccc1CO 62a_100009817552_100000748726 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.90 C[C@@H](O)CSc1nccnc1C#N 62a_100009817552_100000040484 [0,1,0,0,0,1|1,0,1]=4 3858 B13R1.90 C[C@@H](O)CSc1nccnc1C=O 62a_100000051000_100009817552 [0,1,0,0,0,1|1,0,1]=4 3859 B13R1.90 C[C@@H](O)CSc1nccnc1C=O 62a_100009817552_100000051000 [0,1,0,0,0,1|1,0,1]=4 3860 B13R1.90 C[C@@H](O)CSc1nccnc1CN 62a_100000729963_100009817552 [0,1,0,0,0,1|1,0,0]=3 3861 B13R1.90 C[C@@H](O)CSc1nccnc1CN 62a_100009817552_100000729963 [0,1,0,0,0,1|1,0,0]=3 3862 B13R1.90 C[C@@H](O)CSc1nccnc1CO 62a_100000057004_100009817552 [0,1,0,0,0,1|1,0,0]=3 3863 B13R1.90 C[C@@H](O)CSc1nccnc1CO 62a_100009817552_100000057004 [0,1,0,0,0,1|1,0,0]=3 3864 B13R1.90 C[C@@H](O)CSc1nccnc1NN 62a_100009817552_100000755098 [0,1,0,0,0,1|2,0,0]=4 3865 B13R1.90 NCc1nccnc1SCC(F)F 62a_100000729963_100011934356 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.90 NCc1nccnc1SCC(F)F 62a_100011934356_100000729963 [0,1,0,0,0,1|2,0,0]=4 3867 B13R1.90 OCc1nccnc1SCC(F)F 62a_100000057004_100011934356 [0,1,0,0,0,1|2,0,0]=4 3868 B13R1.90 OCc1nccnc1SCC(F)F 62a_100011934356_100000057004 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.150 CC(C)COc1nccc(c1Cl)N 34a_200000093555_100000210624 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.150 CC(C)CSc1nccc(c1F)N 62a_100000210624_100015205195 [0,1,0,0,0,1|2,0,0]=4 3871 B13R1.150 CC(C)CSc1nccc(c1F)N 62a_100015205195_100000210760 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.150 CC(C)CSc1nccc(c1F)O 62a_100000210624_100009876375 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.150 CC(C)CSc1nccc(c1F)O 62a_100009876375_100000210760 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.150 CC(C)CSc1nccc(c1N)N 62a_100000085203_100000210760 [0,1,0,0,0,1|2,0,0]=4 3875 B13R1.150 CC(C)CSc1nccc(c1N)N 62a_100000210624_100000085203 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.150 CC(C)CSc1nccc(c1O)F 62a_100000210624_100009867227 [0,1,0,0,0,1|2,0,0]=4 3877 B13R1.150 CC(C)CSc1nccc(c1O)N 62a_100000210624_100009844647 [0,1,0,0,0,1|2,0,0]=4 3878 B13R1.150 Cc1c(cccc1CNC(C)C)Br 207a_100138425928_100012179384 [0,1,0,0,0,1|2,0,0]=4 3879 B13R1.150 Cc1c(cccc1CNC(C)C)Br 2230a_100138425928_100000694682 [0,1,0,0,0,1|2,0,0]=4 3880 B13R1.150 Cc1c(cccc1CNC(C)C)Br 34a_100000724210_100000210206 [0,1,0,0,0,1|2,0,0]=4 3881 B13R1.150 Cc1c(cccc1CNC(C)C)Br 34a_100138425928_100000694682 [0,1,0,0,0,1|2,0,0]=4 3882 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 207a_100138425928_100012002129 [0,1,0,0,0,1|2,0,0]=4 3883 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 2230a_100020639605_100000210206 [0,1,0,0,0,1|2,0,0]=4 3884 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 2230a_100138425928_100012186920 [0,1,0,0,0,1|2,0,0]=4 3885 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 34a_100020639605_100000210206 [0,1,0,0,0,1|2,0,0]=4 3886 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 34a_100138425928_100012186920 [0,1,0,0,0,1|2,0,0]=4 3887 B13R1.150 Cc1c(cccc1CNC(C)C)F 207a_100138425928_100000037668 [0,1,0,0,0,1|2,0,0]=4 3888 B13R1.150 Cc1c(cccc1CNC(C)C)F 2230a_100132306986_100000210206 [0,1,0,0,0,1|2,0,0]=4 3889 B13R1.150 Cc1c(cccc1CNC(C)C)F 2230a_100138425928_100009813626 [0,1,0,0,0,1|2,0,0]=4 3890 B13R1.150 Cc1c(cccc1CNC(C)C)F 34a_100132306986_100000210206 [0,1,0,0,0,1|2,0,0]=4 3891 B13R1.150 Cc1c(cccc1CNC(C)C)F 34a_100138425928_100009813626 [0,1,0,0,0,1|2,0,0]=4 3892 B13R1.150 Cc1c(cccc1CNC(C)C)I 2230a_100138425928_100010150147 [0,1,0,0,0,1|2,0,0]=4 3893 B13R1.150 Cc1c(cccc1CNC(C)C)I 34a_100138425928_100010150147 [0,1,0,0,0,1|2,0,0]=4 3894 B13R1.150 Cc1c(cccc1COC(C)C)Br 34a_100000212225_100000694682 [0,1,0,0,0,1|2,0,0]=4 3895 B13R1.150 Cc1c(cccc1COC(C)C)Br 34a_100000694458_100000210206 [0,1,0,0,0,1|2,0,0]=4 3896 B13R1.150 Cc1c(cccc1COC(C)C)Br 7a_100000694458_100000210206 [0,1,0,0,0,1|2,0,0]=4 3897 B13R1.150 Cc1c(cccc1COC(C)C)Cl 34a_100000212225_100012186920 [0,1,0,0,0,1|2,0,0]=4 3898 B13R1.150 Cc1c(cccc1COC(C)C)Cl 34a_100012000165_100000210206 [0,1,0,0,0,1|2,0,0]=4 3899 B13R1.150 Cc1c(cccc1COC(C)C)Cl 7a_100012000165_100000210206 [0,1,0,0,0,1|2,0,0]=4 3900 B13R1.150 Cc1c(cccc1COC(C)C)F 34a_100000042775_100000210206 [0,1,0,0,0,1|2,0,0]=4 3901 B13R1.150 Cc1c(cccc1COC(C)C)F 34a_100000212225_100009813626 [0,1,0,0,0,1|2,0,0]=4 3902 B13R1.150 Cc1c(cccc1COC(C)C)F 7a_100000042775_100000210206 [0,1,0,0,0,1|2,0,0]=4 3903 B13R1.150 Cc1c(cccc1COC(C)C)I 34a_100000212225_100010150147 [0,1,0,0,0,1|2,0,0]=4 3904 B13R1.150 Cc1c(cccc1COC(C)C)I 34a_100010150139_100000210206 [0,1,0,0,0,1|2,0,0]=4 3905 B13R1.150 Cc1c(cccc1COC(C)C)I 7a_100010150139_100000210206 [0,1,0,0,0,1|2,0,0]=4 3906 B13R1.150 Cc1c(cccc1COC(C)C)N 34a_102495339961_100000210206 [0,1,0,0,0,1|2,0,0]=4 3907 B13R1.150 Cc1c(cccc1COC(C)C)N 7a_102495339961_100000210206 [0,1,0,0,0,1|2,0,0]=4 3908 B13R1.150 Cc1c(cccc1CSC(C)C)Br 62a_100000210206_100000694682 [0,1,0,0,0,1|2,0,0]=4 3909 B13R1.150 Cc1c(cccc1CSC(C)C)Br 62a_100000694682_100000210206 [0,1,0,0,0,1|2,0,0]=4 3910 B13R1.150 Cc1c(cccc1CSC(C)C)Cl 62a_100000210206_100012186920 [0,1,0,0,0,1|2,0,0]=4 3911 B13R1.150 Cc1c(cccc1CSC(C)C)Cl 62a_100012186920_100000210206 [0,1,0,0,0,1|2,0,0]=4 3912 B13R1.150 Cc1c(cccc1CSC(C)C)F 62a_100000210206_100009813626 [0,1,0,0,0,1|2,0,0]=4 3913 B13R1.150 Cc1c(cccc1CSC(C)C)F 62a_100009813626_100000210206 [0,1,0,0,0,1|2,0,0]=4 3914 B13R1.150 Cc1c(cccc1CSC(C)C)I 62a_100000210206_100010150147 [0,1,0,0,0,1|2,0,0]=4 3915 B13R1.150 Cc1c(cccc1CSC(C)C)I 62a_100010150147_100000210206 [0,1,0,0,0,1|2,0,0]=4 3916 B13R1.150 Cc1c(cccc1NCC(C)C)Br 34a_100000750434_100000210624 [0,1,0,0,0,1|2,0,0]=4 3917 B13R1.150 Cc1c(cccc1NCC(C)C)Cl 2230a_100000210441_100000210760 [0,1,0,0,0,1|2,0,0]=4 3918 B13R1.150 Cc1c(cccc1NCC(C)C)Cl 34a_100000210441_100000210624 [0,1,0,0,0,1|2,0,0]=4 3919 B13R1.150 Cc1c(cccc1NCC(C)C)Cl 7a_100000210441_100000210760 [0,1,0,0,0,1|2,0,0]=4 3920 B13R1.150 Cc1c(cccc1NCC(C)C)F 34a_100000745574_100000210624 [0,1,0,0,0,1|2,0,0]=4 3921 B13R1.150 Cc1c(cccc1NCC(C)C)F 7a_100000745574_100000210760 [0,1,0,0,0,1|2,0,0]=4 3922 B13R1.150 Cc1c(cccc1NCC(C)C)I 34a_100000761887_100000210624 [0,1,0,0,0,1|2,0,0]=4 3923 B13R1.150 Cc1c(cccc1NCC(C)C)O 34a_100011216573_100000210624 [0,1,0,0,0,1|2,0,0]=4 3924 B13R1.150 Cc1c(cccc1NCC(C)C)O 7a_100011216573_100000210760 [0,1,0,0,0,1|2,0,0]=4 3925 B13R1.150 Cc1c(cccc1OCC(C)C)Br 34a_100012002258_100000210624 [0,1,0,0,0,1|2,0,0]=4 3926 B13R1.150 Cc1c(cccc1OCC(C)C)Br 7a_100012002258_100000210760 [0,1,0,0,0,1|2,0,0]=4 3927 B13R1.150 Cc1c(cccc1OCC(C)C)Cl 34a_100011265684_100000210624 [0,1,0,0,0,1|2,0,0]=4 3928 B13R1.150 Cc1c(cccc1OCC(C)C)Cl 7a_100011265684_100000210760 [0,1,0,0,0,1|2,0,0]=4 3929 B13R1.150 Cc1c(cccc1OCC(C)C)F 34a_100011217231_100000210624 [0,1,0,0,0,1|2,0,0]=4 3930 B13R1.150 Cc1c(cccc1OCC(C)C)F 7a_100011217231_100000210760 [0,1,0,0,0,1|2,0,0]=4 3931 B13R1.150 Cc1c(cccc1OCC(C)C)N 34a_100011216573_100000210624 [0,1,0,0,0,1|2,0,0]=4 3932 B13R1.150 Cc1c(cccc1OCC(C)C)N 7a_100011216573_100000210760 [0,1,0,0,0,1|2,0,0]=4 3933 B13R1.150 Cc1c(cccc1SCC(C)C)Br 62a_100000210624_100012353703 [0,1,0,0,0,1|2,0,0]=4 3934 B13R1.150 Cc1c(cccc1SCC(C)C)Br 62a_100012353703_100000210760 [0,1,0,0,0,1|2,0,0]=4 3935 B13R1.150 Cc1c(cccc1SCC(C)C)Cl 62a_100000210624_100000726075 [0,1,0,0,0,1|2,0,0]=4 3936 B13R1.150 Cc1c(cccc1SCC(C)C)Cl 62a_100000726075_100000210760 [0,1,0,0,0,1|2,0,0]=4 3937 B13R1.150 Cc1c(cccc1SCC(C)C)F 62a_100000210624_100011216893 [0,1,0,0,0,1|2,0,0]=4 3938 B13R1.150 Cc1c(cccc1SCC(C)C)F 62a_100011216893_100000210760 [0,1,0,0,0,1|2,0,0]=4 3939 B13R1.150 Cc1c(cccc1SCC(C)C)N 62a_100000210624_100000761887 [0,1,0,0,0,1|2,0,0]=4 3940 B13R1.150 Cc1c(cccc1SCC(C)C)N 62a_100000761887_100000210760 [0,1,0,0,0,1|2,0,0]=4 3941 B13R1.150 Cc1c(cccc1SCC(C)C)O 62a_100000210624_100012002258 [0,1,0,0,0,1|2,0,0]=4 3942 B13R1.150 Cc1c(cccc1SCC(C)C)O 62a_100012002258_100000210760 [0,1,0,0,0,1|2,0,0]=4 3943 B13R1.150 Cc1c(ccnc1C=CC(C)C)F 271570a_100016257149_100009846374 [0,1,0,0,0,1|1,0,1]=4 3944 B13R1.150 Cc1c(ccnc1C=CC(C)C)N 271570a_100016257149_100009980296 [0,1,0,0,0,1|1,0,1]=4 3945 B13R1.150 Cc1c(ccnc1CNC(C)C)Cl 2230a_100138425928_100020614443 [0,1,0,0,0,1|1,0,0]=3 3946 B13R1.150 Cc1c(ccnc1CNC(C)C)Cl 34a_100138425928_100020614443 [0,1,0,0,0,1|1,0,0]=3 3947 B13R1.150 Cc1c(ccnc1COC(C)C)Cl 34a_100000212225_100020614443 [0,1,0,0,0,1|1,0,0]=3 3948 B13R1.150 Cc1c(ccnc1CSC(C)C)Cl 62a_100000210206_100020614443 [0,1,0,0,0,1|1,0,0]=3 3949 B13R1.150 Cc1c(ccnc1CSC(C)C)Cl 62a_100020614443_100000210206 [0,1,0,0,0,1|1,0,0]=3 3950 B13R1.150 Cc1c(ccnc1NCC(C)C)F 27a_100000210953_100009846374 [0,1,0,0,0,1|1,0,0]=3 3951 B13R1.150 Cc1c(ccnc1NCC(C)O)F 27a_100000210904_100009846374 [0,1,0,0,0,1|2,0,0]=4 3952 B13R1.150 Cc1c(ccnc1OCC(C)C)Br 34a_100009858498_100000210624 [0,1,0,0,0,1|1,0,0]=3 3953 B13R1.150 Cc1c(ccnc1OCC(C)O)Br 34a_100009858498_100011218427 [0,1,0,0,0,1|2,0,0]=4 3954 B13R1.150 Cc1c(ccnc1OC[C@@H](C)O)Br 34a_100009858498_100009817552 [0,1,0,0,0,1|2,0,0]=4 3955 B13R1.150 Cc1c(ccnc1SCC(C)C)F 62a_100000210624_100009846374 [0,1,0,0,0,1|1,0,0]=3 3956 B13R1.150 Cc1c(ccnc1SCC(C)C)F 62a_100009846374_100000210760 [0,1,0,0,0,1|1,0,0]=3 3957 B13R1.150 Cc1c(ccnc1SCC(C)C)N 62a_100000210624_100000690622 [0,1,0,0,0,1|1,0,0]=3 3958 B13R1.150 Cc1c(ccnc1SCC(C)C)N 62a_100000690622_100000210760 [0,1,0,0,0,1|1,0,0]=3 3959 B13R1.150 Cc1c(ccnc1SCC(C)O)F 62a_100009846374_100011218427 [0,1,0,0,0,1|2,0,0]=4 3960 B13R1.150 Cc1c(ccnc1SCC(C)O)F 62a_100011218427_100009846374 [0,1,0,0,0,1|2,0,0]=4 3961 B13R1.150 Cc1c(ccnc1SCC(C)O)N 62a_100000690622_100011218427 [0,1,0,0,0,1|2,0,0]=4 3962 B13R1.150 Cc1c(ccnc1SCC(C)O)N 62a_100011218427_100000690622 [0,1,0,0,0,1|2,0,0]=4 3963 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)F 62a_100009817552_100009846374 [0,1,0,0,0,1|2,0,0]=4 3964 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)F 62a_100009846374_100009817552 [0,1,0,0,0,1|2,0,0]=4 3965 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)N 62a_100000690622_100009817552 [0,1,0,0,0,1|2,0,0]=4 3966 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)N 62a_100009817552_100000690622 [0,1,0,0,0,1|2,0,0]=4 3967 B13R1.150 Cc1c(cnnc1SCC(C)C)N 62a_100000210624_200011012966 [0,1,0,0,0,1|2,0,0]=4 3968 B13R1.150 Cc1c(cnnc1SCC(C)C)N 62a_200011012966_100000210760 [0,1,0,0,0,1|2,0,0]=4 3969 B13R1.150 Cc1c(ncnc1NCC(C)C)N 27a_100000210953_100011913465 [0,1,0,0,0,1|2,0,0]=4 3970 B13R1.150 Cc1c(ncnc1NCC(C)C)O 27a_100000210953_100011912821 [0,1,0,0,0,1|2,0,0]=4 3971 B13R1.150 Cc1c(ncnc1OCC(C)C)Cl 34a_100011912821_100000210624 [0,1,0,0,0,1|2,0,0]=4 3972 B13R1.150 Cc1c(ncnc1SCC(C)C)N 62a_100000210624_100011913465 [0,1,0,0,0,1|2,0,0]=4 3973 B13R1.150 Cc1c(ncnc1SCC(C)C)N 62a_100011913465_100000210760 [0,1,0,0,0,1|2,0,0]=4 3974 B13R1.150 Cc1c(ncnc1SCC(C)C)O 62a_100000210624_100011912821 [0,1,0,0,0,1|2,0,0]=4 3975 B13R1.150 Cc1cccc(c1C)CNC(C)C 207a_100138425928_100000229941 [0,1,0,0,0,1|2,0,0]=4 3976 B13R1.150 Cc1cccc(c1C)CNC(C)C 2230a_100011211637_100000210206 [0,1,0,0,0,1|2,0,0]=4 3977 B13R1.150 Cc1cccc(c1C)CNC(C)C 2230a_100138425928_100011515928 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.150 Cc1cccc(c1C)CNC(C)C 34a_100011211637_100000210206 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.150 Cc1cccc(c1C)CNC(C)C 34a_100138425928_100011273979 [0,1,0,0,0,1|2,0,0]=4 3980 B13R1.150 Cc1cccc(c1C)COC(C)C 34a_100000212225_100011273979 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.150 Cc1cccc(c1C)COC(C)C 34a_100011219135_100000210206 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.150 Cc1cccc(c1C)COC(C)C 7a_100011219135_100000210206 [0,1,0,0,0,1|2,0,0]=4 3983 B13R1.150 Cc1cccc(c1C)CSC(C)C 62a_100000210206_100011515928 [0,1,0,0,0,1|2,0,0]=4 3984 B13R1.150 Cc1cccc(c1C)CSC(C)C 62a_100011515928_100000210206 [0,1,0,0,0,1|2,0,0]=4 3985 B13R1.150 Cc1cccc(c1C)NCC(C)C 2230a_100000210026_100000210760 [0,1,0,0,0,1|2,0,0]=4 3986 B13R1.150 Cc1cccc(c1C)NCC(C)C 34a_100000210026_100000210624 [0,1,0,0,0,1|2,0,0]=4 3987 B13R1.150 Cc1cccc(c1C)NCC(C)C 7a_100000210026_100000210760 [0,1,0,0,0,1|2,0,0]=4 3988 B13R1.150 Cc1cccc(c1C)OCC(C)C 34a_100000185855_100000210624 [0,1,0,0,0,1|2,0,0]=4 3989 B13R1.150 Cc1cccc(c1C)OCC(C)C 7a_100000185855_100000210760 [0,1,0,0,0,1|2,0,0]=4 3990 B13R1.150 Cc1cccc(c1C)SCC(C)C 62a_100000210624_100011214922 [0,1,0,0,0,1|2,0,0]=4 3991 B13R1.150 Cc1cccc(c1C)SCC(C)C 62a_100011214922_100000210760 [0,1,0,0,0,1|2,0,0]=4 3992 B13R1.150 Cc1ccnc(c1Br)OCC(C)C 34a_100012000493_100000210624 [0,1,0,0,0,1|2,0,0]=4 3993 B13R1.150 Cc1ccnc(c1C)C=CC(C)C 271570a_100016257149_100009847204 [0,1,0,0,0,1|1,0,1]=4 3994 B13R1.150 Cc1ccnc(c1C)SCC(C)C 62a_100000210624_100009847204 [0,1,0,0,0,1|1,0,0]=3 3995 B13R1.150 Cc1ccnc(c1C)SCC(C)C 62a_100009847204_100000210760 [0,1,0,0,0,1|1,0,0]=3 3996 B13R1.150 Cc1ccnc(c1C)SCC(C)O 62a_100009847204_100011218427 [0,1,0,0,0,1|2,0,0]=4 3997 B13R1.150 Cc1ccnc(c1C)SCC(C)O 62a_100011218427_100009847204 [0,1,0,0,0,1|2,0,0]=4 3998 B13R1.150 Cc1ccnc(c1C)SC[C@@H](C)O 62a_100009817552_100009847204 [0,1,0,0,0,1|2,0,0]=4 3999 B13R1.150 Cc1ccnc(c1C)SC[C@@H](C)O 62a_100009847204_100009817552 [0,1,0,0,0,1|2,0,0]=4 4000 B13R1.150 Cc1ccnc(c1F)SCC(C)C 62a_100000210624_100009817629 [0,1,0,0,0,1|2,0,0]=4 4001 B13R1.150 Cc1ccnc(c1F)SCC(C)C 62a_100009817629_100000210760 [0,1,0,0,0,1|2,0,0]=4 4002 B13R1.150 Cc1ccnc(c1N)SCC(C)C 62a_100000210624_100000763560 [0,1,0,0,0,1|2,0,0]=4 4003 B13R1.150 Cc1ccnc(c1N)SCC(C)C 62a_100000763560_100000210760 [0,1,0,0,0,1|2,0,0]=4 4004 B13R1.150 Cc1ccnc(c1O)SCC(C)C 62a_100000210624_100000696282 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.150 Cc1ncnc(c1C)NCC(C)C 27a_100000210953_100011438038 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.150 Cc1ncnc(c1C)OCC(C)C 34a_100000697798_100000210624 [0,1,0,0,0,1|2,0,0]=4 4007 B13R1.150 Cc1ncnc(c1C)SCC(C)C 62a_100000210624_100011438038 [0,1,0,0,0,1|2,0,0]=4 4008 B13R1.150 Cc1ncnc(c1C)SCC(C)C 62a_100011438038_100000210760 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.157 CC(C)(C)C=Cc1nccnc1F 271570a_100102527731_200010125657 [0,1,0,0,0,1|1,0,1]=4 4010 B13R1.157 CC(C)(C)C=Cc1nccnc1N 271570a_100102527731_100000747729 [0,1,0,0,0,1|1,0,1]=4 4011 B13R1.157 CC(C)(C)CNc1ncccc1Br 27a_100000743828_100000696092 [0,1,0,0,0,1|2,0,0]=4 4012 B13R1.157 CC(C)(C)CNc1nccnc1F 27a_100000743828_200010125657 [0,1,0,0,0,1|1,0,0]=3 4013 B13R1.157 CC(C)(C)COc1cccnc1Br 34a_100000744436_100011219605 [0,1,0,0,0,1|2,0,0]=4 4014 B13R1.157 CC(C)(C)COc1cccnc1Cl 34a_100000757616_100011219605 [0,1,0,0,0,1|2,0,0]=4 4015 B13R1.157 CC(C)(C)COc1cccnc1F 34a_100000061740_100011219605 [0,1,0,0,0,1|2,0,0]=4 4016 B13R1.157 CC(C)(C)COc1cccnc1I 34a_100000034122_100011219605 [0,1,0,0,0,1|2,0,0]=4 4017 B13R1.157 CC(C)(C)COc1cccnc1N 34a_100000211975_100011219605 [0,1,0,0,0,1|2,0,0]=4 4018 B13R1.157 CC(C)(C)COc1ncccc1Cl 34a_100011290957_100011219605 [0,1,0,0,0,1|2,0,0]=4 4019 B13R1.157 CC(C)(C)COc1ncccc1F 34a_100011219419_100011219605 [0,1,0,0,0,1|2,0,0]=4 4020 B13R1.157 CC(C)(C)COc1ncccc1N 34a_100000746358_100011219605 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.157 CC(C)(C)CSc1cccnc1Br 62a_100010202626_100011219605 [0,1,0,0,0,1|2,0,0]=4 4022 B13R1.157 CC(C)(C)CSc1cccnc1Br 62a_100011219605_100010202626 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.157 CC(C)(C)CSc1cccnc1Cl 62a_100000036424_100011219605 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.157 CC(C)(C)CSc1cccnc1Cl 62a_100011219605_100000036424 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.157 CC(C)(C)CSc1cccnc1F 62a_100009816115_100011219605 [0,1,0,0,0,1|2,0,0]=4 4026 B13R1.157 CC(C)(C)CSc1cccnc1F 62a_100011219605_100009816115 [0,1,0,0,0,1|2,0,0]=4 4027 B13R1.157 CC(C)(C)CSc1cccnc1N 62a_100000045569_100011219605 [0,1,0,0,0,1|2,0,0]=4 4028 B13R1.157 CC(C)(C)CSc1cccnc1N 62a_100011219605_100000045569 [0,1,0,0,0,1|2,0,0]=4 4029 B13R1.157 CC(C)(C)CSc1cccnc1O 62a_100000760158_100011219605 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.157 CC(C)(C)CSc1cccnc1O 62a_100011219605_100000760158 [0,1,0,0,0,1|2,0,0]=4 4031 B13R1.157 CC(C)(C)CSc1ncc[nH]c1=O 62a_100011219605_100000763361 [0,1,0,0,0,1|1,0,1]=4 4032 B13R1.157 CC(C)(C)CSc1ncccc1Br 62a_100000696092_100011219605 [0,1,0,0,0,1|2,0,0]=4 4033 B13R1.157 CC(C)(C)CSc1ncccc1Br 62a_100011219605_100000696092 [0,1,0,0,0,1|2,0,0]=4 4034 B13R1.157 CC(C)(C)CSc1ncccc1Cl 62a_100011219605_100011356963 [0,1,0,0,0,1|2,0,0]=4 4035 B13R1.157 CC(C)(C)CSc1ncccc1Cl 62a_100011356963_100011219605 [0,1,0,0,0,1|2,0,0]=4 4036 B13R1.157 CC(C)(C)CSc1ncccc1F 62a_100000685392_100011219605 [0,1,0,0,0,1|2,0,0]=4 4037 B13R1.157 CC(C)(C)CSc1ncccc1F 62a_100011219605_100000685392 [0,1,0,0,0,1|2,0,0]=4 4038 B13R1.157 CC(C)(C)CSc1ncccc1N 62a_100000688686_100011219605 [0,1,0,0,0,1|2,0,0]=4 4039 B13R1.157 CC(C)(C)CSc1ncccc1N 62a_100011219605_100000688686 [0,1,0,0,0,1|2,0,0]=4 4040 B13R1.157 CC(C)(C)CSc1ncccc1O 62a_100000034122_100011219605 [0,1,0,0,0,1|2,0,0]=4 4041 B13R1.157 CC(C)(C)CSc1ncccc1O 62a_100011219605_100000034122 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.157 CC(C)(C)CSc1nccnc1Cl 62a_100010886584_100011219605 [0,1,0,0,0,1|1,0,0]=3 4043 B13R1.157 CC(C)(C)CSc1nccnc1Cl 62a_100011219605_100010886584 [0,1,0,0,0,1|1,0,0]=3 4044 B13R1.157 CC(C)(C)CSc1nccnc1F 62a_100011219605_200010125657 [0,1,0,0,0,1|1,0,0]=3 4045 B13R1.157 CC(C)(C)CSc1nccnc1F 62a_200010125657_100011219605 [0,1,0,0,0,1|1,0,0]=3 4046 B13R1.157 CC(C)(C)CSc1nccnc1N 62a_100000747729_100011219605 [0,1,0,0,0,1|1,0,0]=3 4047 B13R1.157 CC(C)(C)CSc1nccnc1N 62a_100011219605_100000747729 [0,1,0,0,0,1|1,0,0]=3 4048 B13R1.157 CC(C)(C)NCc1cccnc1Br 2230a_100000715429_100010140945 [0,1,0,0,0,1|2,0,0]=4 4049 B13R1.157 CC(C)(C)NCc1cccnc1Br 34a_100009818023_100000210625 [0,1,0,0,0,1|2,0,0]=4 4050 B13R1.157 CC(C)(C)NCc1cccnc1Cl 2230a_100000715429_100000045678 [0,1,0,0,0,1|2,0,0]=4 4051 B13R1.157 CC(C)(C)NCc1cccnc1Cl 34a_100015189234_100000210625 [0,1,0,0,0,1|2,0,0]=4 4052 B13R1.157 CC(C)(C)NCc1cccnc1F 2230a_100000715429_100000099810 [0,1,0,0,0,1|2,0,0]=4 4053 B13R1.157 CC(C)(C)NCc1cccnc1F 34a_100000724633_100000210625 [0,1,0,0,0,1|2,0,0]=4 4054 B13R1.157 CC(C)(C)NCc1cccnc1O 207a_100000715429_100011998315 [0,1,0,0,0,1|2,0,0]=4 4055 B13R1.157 CC(C)(C)NCc1ncccc1Br 207a_100000715429_100011934733 [0,1,0,0,0,1|2,0,0]=4 4056 B13R1.157 CC(C)(C)NCc1ncccc1Br 2230a_100000715429_100025702911 [0,1,0,0,0,1|2,0,0]=4 4057 B13R1.157 CC(C)(C)NCc1ncccc1Cl 207a_100000715429_100012001307 [0,1,0,0,0,1|2,0,0]=4 4058 B13R1.157 CC(C)(C)NCc1ncccc1Cl 2230a_100000715429_100000099807 [0,1,0,0,0,1|2,0,0]=4 4059 B13R1.157 CC(C)(C)NCc1ncccc1F 207a_100000715429_100011934734 [0,1,0,0,0,1|2,0,0]=4 4060 B13R1.157 CC(C)(C)NCc1ncccc1F 2230a_100000715429_100000104219 [0,1,0,0,0,1|2,0,0]=4 4061 B13R1.157 CC(C)(C)NCc1ncccc1F 34a_100000690088_100000210625 [0,1,0,0,0,1|2,0,0]=4 4062 B13R1.157 CC(C)(C)OCc1cccnc1Br 34a_100000719692_100000210625 [0,1,0,0,0,1|2,0,0]=4 4063 B13R1.157 CC(C)(C)OCc1cccnc1Br 34a_100015890283_100010140945 [0,1,0,0,0,1|2,0,0]=4 4064 B13R1.157 CC(C)(C)OCc1cccnc1Br 7a_100015890283_100010140945 [0,1,0,0,0,1|2,0,0]=4 4065 B13R1.157 CC(C)(C)OCc1cccnc1Cl 34a_100000748726_100000210625 [0,1,0,0,0,1|2,0,0]=4 4066 B13R1.157 CC(C)(C)OCc1cccnc1Cl 34a_100015890283_100000045678 [0,1,0,0,0,1|2,0,0]=4 4067 B13R1.157 CC(C)(C)OCc1cccnc1Cl 7a_100015890283_100000045678 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.157 CC(C)(C)OCc1cccnc1F 34a_100000079888_100000210625 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.157 CC(C)(C)OCc1cccnc1F 34a_100015890283_100000099810 [0,1,0,0,0,1|2,0,0]=4 4070 B13R1.157 CC(C)(C)OCc1cccnc1F 7a_100015890283_100000099810 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.157 CC(C)(C)OCc1ncccc1Br 34a_100011996772_100000210625 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.157 CC(C)(C)OCc1ncccc1Br 34a_100015890283_100025702911 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.157 CC(C)(C)OCc1ncccc1Br 7a_100015890283_100025702911 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.157 CC(C)(C)OCc1ncccc1Cl 34a_100012002383_100000210625 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.157 CC(C)(C)OCc1ncccc1Cl 7a_100015890283_100000099807 [0,1,0,0,0,1|2,0,0]=4 4076 B13R1.157 CC(C)(C)OCc1ncccc1F 34a_100011934865_100000210625 [0,1,0,0,0,1|2,0,0]=4 4077 B13R1.157 CC(C)(C)OCc1ncccc1F 34a_100015890283_100000104219 [0,1,0,0,0,1|2,0,0]=4 4078 B13R1.157 CC(C)(C)OCc1ncccc1F 7a_100015890283_100000104219 [0,1,0,0,0,1|2,0,0]=4 4079 B13R1.157 CC(C)(C)OCc1ncccc1N 34a_114873767017_100000210625 [0,1,0,0,0,1|2,0,0]=4 4080 B13R1.157 CC(C)(C)OCc1ncccc1O 34a_100015890283_200020655725 [0,1,0,0,0,1|2,0,0]=4 4081 B13R1.157 CC(C)(C)OCc1ncccc1O 7a_100015890283_200020655725 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.157 CC(C)(C)OCc1nccnc1Cl 34a_100000057004_100000210625 [0,1,0,0,0,1|1,0,0]=3 4083 B13R1.157 CC(C)(C)SCc1cccnc1Br 62a_100000211941_100010140945 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.157 CC(C)(C)SCc1cccnc1Br 62a_100010140945_100000211941 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.157 CC(C)(C)SCc1cccnc1Cl 62a_100000045678_100000211941 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.157 CC(C)(C)SCc1cccnc1Cl 62a_100000211941_100000045678 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.157 CC(C)(C)SCc1cccnc1F 62a_100000099810_100000211941 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.157 CC(C)(C)SCc1cccnc1F 62a_100000211941_100000099810 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.157 CC(C)(C)SCc1ncccc1Br 62a_100000211941_100025702911 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.157 CC(C)(C)SCc1ncccc1Br 62a_100025702911_100000211941 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.157 CC(C)(C)SCc1ncccc1Cl 62a_100000099807_100000211941 [0,1,0,0,0,1|2,0,0]=4 4092 B13R1.157 CC(C)(C)SCc1ncccc1Cl 62a_100000211941_100000099807 [0,1,0,0,0,1|2,0,0]=4 4093 B13R1.157 CC(C)(C)SCc1ncccc1F 62a_100000104219_100000211941 [0,1,0,0,0,1|2,0,0]=4 4094 B13R1.157 CC(C)(C)SCc1ncccc1F 62a_100000211941_100000104219 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.157 CC(C)(C)SCc1ncccc1O 62a_100000211941_200020655725 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.157 CC(C)(C)SCc1ncccc1O 62a_200020655725_100000211941 [0,1,0,0,0,1|2,0,0]=4 4097 B13R1.157 CC(C)(F)CNc1ncccc1Br 27a_100020643315_100000696092 [0,1,0,0,0,1|2,0,0]=4 4098 B13R1.157 CC(C)(F)CNc1nccnc1F 27a_100020643315_200010125657 [0,1,0,0,0,1|1,0,0]=3 4099 B13R1.157 CC(C)(F)COc1cccnc1Br 34a_100000744436_100011997219 [0,1,0,0,0,1|2,0,0]=4 4100 B13R1.157 CC(C)(F)COc1cccnc1Cl 34a_100000757616_100011997219 [0,1,0,0,0,1|2,0,0]=4 4101 B13R1.157 CC(C)(F)COc1cccnc1F 34a_100000061740_100011997219 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.157 CC(C)(F)COc1cccnc1I 34a_100000034122_100011997219 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.157 CC(C)(F)COc1cccnc1N 34a_100000211975_100011997219 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.157 CC(C)(F)COc1ncccc1Cl 34a_100011290957_100011997219 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.157 CC(C)(F)COc1ncccc1F 34a_100011219419_100011997219 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.157 CC(C)(F)COc1ncccc1N 34a_100000746358_100011997219 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.157 CC(C)(F)CSc1cccnc1Br 62a_100010202626_100011997219 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.157 CC(C)(F)CSc1cccnc1Br 62a_100011997219_100010202626 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.157 CC(C)(F)CSc1cccnc1Cl 62a_100000036424_100011997219 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.157 CC(C)(F)CSc1cccnc1Cl 62a_100011997219_100000036424 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.157 CC(C)(F)CSc1cccnc1F 62a_100009816115_100011997219 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.157 CC(C)(F)CSc1cccnc1F 62a_100011997219_100009816115 [0,1,0,0,0,1|2,0,0]=4 4113 B13R1.157 CC(C)(F)CSc1cccnc1N 62a_100000045569_100011997219 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.157 CC(C)(F)CSc1cccnc1N 62a_100011997219_100000045569 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.157 CC(C)(F)CSc1cccnc1O 62a_100000760158_100011997219 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.157 CC(C)(F)CSc1cccnc1O 62a_100011997219_100000760158 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.157 CC(C)(F)CSc1ncc[nH]c1=O 62a_100011997219_100000763361 [0,1,0,0,0,1|1,0,1]=4 4118 B13R1.157 CC(C)(F)CSc1ncccc1Br 62a_100000696092_100011997219 [0,1,0,0,0,1|2,0,0]=4 4119 B13R1.157 CC(C)(F)CSc1ncccc1Br 62a_100011997219_100000696092 [0,1,0,0,0,1|2,0,0]=4 4120 B13R1.157 CC(C)(F)CSc1ncccc1Cl 62a_100011356963_100011997219 [0,1,0,0,0,1|2,0,0]=4 4121 B13R1.157 CC(C)(F)CSc1ncccc1Cl 62a_100011997219_100011356963 [0,1,0,0,0,1|2,0,0]=4 4122 B13R1.157 CC(C)(F)CSc1ncccc1F 62a_100000685392_100011997219 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.157 CC(C)(F)CSc1ncccc1F 62a_100011997219_100000685392 [0,1,0,0,0,1|2,0,0]=4 4124 B13R1.157 CC(C)(F)CSc1ncccc1N 62a_100000688686_100011997219 [0,1,0,0,0,1|2,0,0]=4 4125 B13R1.157 CC(C)(F)CSc1ncccc1N 62a_100011997219_100000688686 [0,1,0,0,0,1|2,0,0]=4 4126 B13R1.157 CC(C)(F)CSc1ncccc1O 62a_100000034122_100011997219 [0,1,0,0,0,1|2,0,0]=4 4127 B13R1.157 CC(C)(F)CSc1ncccc1O 62a_100011997219_100000034122 [0,1,0,0,0,1|2,0,0]=4 4128 B13R1.157 CC(C)(F)CSc1nccnc1Cl 62a_100010886584_100011997219 [0,1,0,0,0,1|1,0,0]=3 4129 B13R1.157 CC(C)(F)CSc1nccnc1Cl 62a_100011997219_100010886584 [0,1,0,0,0,1|1,0,0]=3 4130 B13R1.157 CC(C)(F)CSc1nccnc1F 62a_100011997219_200010125657 [0,1,0,0,0,1|1,0,0]=3 4131 B13R1.157 CC(C)(F)CSc1nccnc1F 62a_200010125657_100011997219 [0,1,0,0,0,1|1,0,0]=3 4132 B13R1.157 CC(C)(F)CSc1nccnc1N 62a_100000747729_100011997219 [0,1,0,0,0,1|1,0,0]=3 4133 B13R1.157 CC(C)(F)CSc1nccnc1N 62a_100011997219_100000747729 [0,1,0,0,0,1|1,0,0]=3 4134 B13R1.157 CC(C)(O)C=Cc1nccnc1F 271570a_200016258132_200010125657 [0,1,0,0,0,1|1,0,1]=4 4135 B13R1.157 CC(C)(O)C=Cc1nccnc1N 271570a_200016258132_100000747729 [0,1,0,0,0,1|1,0,1]=4 4136 B13R1.157 CC(C)(O)CNc1ncccc1Br 27a_100000751335_100000696092 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.157 CC(C)(O)CNc1nccnc1F 27a_100000751335_200010125657 [0,1,0,0,0,1|1,0,0]=3 4138 B13R1.157 CC(C)(O)COc1cccnc1Br 34a_100000744436_100000764493 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.157 CC(C)(O)COc1cccnc1Br 7a_100000744436_100000764493 [0,1,0,0,0,1|2,0,0]=4 4140 B13R1.157 CC(C)(O)COc1cccnc1Cl 34a_100000757616_100000764493 [0,1,0,0,0,1|2,0,0]=4 4141 B13R1.157 CC(C)(O)COc1cccnc1Cl 7a_100000757616_100000764493 [0,1,0,0,0,1|2,0,0]=4 4142 B13R1.157 CC(C)(O)COc1cccnc1F 34a_100000061740_100000764493 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.157 CC(C)(O)COc1cccnc1F 7a_100000061740_100000764493 [0,1,0,0,0,1|2,0,0]=4 4144 B13R1.157 CC(C)(O)COc1cccnc1I 34a_100000034122_100000764493 [0,1,0,0,0,1|2,0,0]=4 4145 B13R1.157 CC(C)(O)COc1cccnc1I 7a_100000034122_100000764493 [0,1,0,0,0,1|2,0,0]=4 4146 B13R1.157 CC(C)(O)COc1cccnc1N 34a_100000211975_100000764493 [0,1,0,0,0,1|2,0,0]=4 4147 B13R1.157 CC(C)(O)COc1cccnc1N 7a_100000211975_100000764493 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.157 CC(C)(O)COc1ncccc1Cl 34a_100011290957_100000764493 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.157 CC(C)(O)COc1ncccc1F 34a_100011219419_100000764493 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.157 CC(C)(O)COc1ncccc1N 34a_100000746358_100000764493 [0,1,0,0,0,1|2,0,0]=4 4151 B13R1.157 CC(C)(O)CSc1cccnc1Br 62a_100000764493_100010202626 [0,1,0,0,0,1|2,0,0]=4 4152 B13R1.157 CC(C)(O)CSc1cccnc1Br 62a_100010202626_100000764493 [0,1,0,0,0,1|2,0,0]=4 4153 B13R1.157 CC(C)(O)CSc1cccnc1Cl 62a_100000036424_100000764493 [0,1,0,0,0,1|2,0,0]=4 4154 B13R1.157 CC(C)(O)CSc1cccnc1Cl 62a_100000764493_100000036424 [0,1,0,0,0,1|2,0,0]=4 4155 B13R1.157 CC(C)(O)CSc1cccnc1F 62a_100000764493_100009816115 [0,1,0,0,0,1|2,0,0]=4 4156 B13R1.157 CC(C)(O)CSc1cccnc1F 62a_100009816115_100000764493 [0,1,0,0,0,1|2,0,0]=4 4157 B13R1.157 CC(C)(O)CSc1cccnc1N 62a_100000045569_100000764493 [0,1,0,0,0,1|2,0,0]=4 4158 B13R1.157 CC(C)(O)CSc1cccnc1N 62a_100000764493_100000045569 [0,1,0,0,0,1|2,0,0]=4 4159 B13R1.157 CC(C)(O)CSc1cccnc1O 62a_100000760158_100000764493 [0,1,0,0,0,1|2,0,0]=4 4160 B13R1.157 CC(C)(O)CSc1cccnc1O 62a_100000764493_100000760158 [0,1,0,0,0,1|2,0,0]=4 4161 B13R1.157 CC(C)(O)CSc1ncc[nH]c1=O 62a_100000764493_100000763361 [0,1,0,0,0,1|1,0,1]=4 4162 B13R1.157 CC(C)(O)CSc1ncccc1Br 62a_100000696092_100000764493 [0,1,0,0,0,1|2,0,0]=4 4163 B13R1.157 CC(C)(O)CSc1ncccc1Br 62a_100000764493_100000696092 [0,1,0,0,0,1|2,0,0]=4 4164 B13R1.157 CC(C)(O)CSc1ncccc1Cl 62a_100000764493_100011356963 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.157 CC(C)(O)CSc1ncccc1Cl 62a_100011356963_100000764493 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.157 CC(C)(O)CSc1ncccc1F 62a_100000685392_100000764493 [0,1,0,0,0,1|2,0,0]=4 4167 B13R1.157 CC(C)(O)CSc1ncccc1F 62a_100000764493_100000685392 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.157 CC(C)(O)CSc1ncccc1N 62a_100000688686_100000764493 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.157 CC(C)(O)CSc1ncccc1N 62a_100000764493_100000688686 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.157 CC(C)(O)CSc1ncccc1O 62a_100000034122_100000764493 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.157 CC(C)(O)CSc1ncccc1O 62a_100000764493_100000034122 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.157 CC(C)(O)CSc1nccnc1Cl 62a_100000764493_100010886584 [0,1,0,0,0,1|1,0,0]=3 4173 B13R1.157 CC(C)(O)CSc1nccnc1Cl 62a_100010886584_100000764493 [0,1,0,0,0,1|1,0,0]=3 4174 B13R1.157 CC(C)(O)CSc1nccnc1F 62a_100000764493_200010125657 [0,1,0,0,0,1|1,0,0]=3 4175 B13R1.157 CC(C)(O)CSc1nccnc1F 62a_200010125657_100000764493 [0,1,0,0,0,1|1,0,0]=3 4176 B13R1.157 CC(C)(O)CSc1nccnc1N 62a_100000747729_100000764493 [0,1,0,0,0,1|1,0,0]=3 4177 B13R1.157 CC(C)(O)CSc1nccnc1N 62a_100000764493_100000747729 [0,1,0,0,0,1|1,0,0]=3 4178 B13R1.157 CC(F)(F)CNc1nccnc1F 27a_100000731000_200010125657 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.157 C[N+](C)(C)CSc1nccnc1Cl 62a_100010886584_200000036245 [0,1,0,0,0,1|2,0,0]=4 4180 B13R1.157 C[N+](C)(C)CSc1nccnc1Cl 62a_200000036245_100010886584 [0,1,0,0,0,1|2,0,0]=4 4181 B13R1.157 C[N+](C)(C)CSc1nccnc1F 62a_200000036245_200010125657 [0,1,0,0,0,1|2,0,0]=4 4182 B13R1.157 C[N+](C)(C)CSc1nccnc1F 62a_200010125657_200000036245 [0,1,0,0,0,1|2,0,0]=4 4183 B13R1.157 C[N+](C)(C)CSc1nccnc1N 62a_100000747729_200000036245 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.157 C[N+](C)(C)CSc1nccnc1N 62a_200000036245_100000747729 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.157 C[Si](C)(C)CNc1nccnc1F 27a_102516607284_200010125657 [0,1,0,0,0,1|1,1,0]=4 4186 B13R1.157 C[Si](C)(C)CSc1nccnc1Cl 62a_100000037933_100010886584 [0,1,0,0,0,1|1,1,0]=4 4187 B13R1.157 C[Si](C)(C)CSc1nccnc1Cl 62a_100010886584_100000037933 [0,1,0,0,0,1|1,1,0]=4 4188 B13R1.157 C[Si](C)(C)CSc1nccnc1F 62a_100000037933_200010125657 [0,1,0,0,0,1|1,1,0]=4 4189 B13R1.157 C[Si](C)(C)CSc1nccnc1F 62a_200010125657_100000037933 [0,1,0,0,0,1|1,1,0]=4 4190 B13R1.157 C[Si](C)(C)CSc1nccnc1N 62a_100000037933_100000747729 [0,1,0,0,0,1|1,1,0]=4 4191 B13R1.157 C[Si](C)(C)CSc1nccnc1N 62a_100000747729_100000037933 [0,1,0,0,0,1|1,1,0]=4 4192 B13R1.157 Cc1ccccc1CNC(C)(C)C 207a_100000715429_100000211143 [0,1,0,0,0,1|2,0,0]=4 4193 B13R1.157 Cc1ccccc1CNC(C)(C)C 2230a_100000715429_100000211839 [0,1,0,0,0,1|2,0,0]=4 4194 B13R1.157 Cc1ccccc1CNC(C)(C)C 34a_100000174972_100000210625 [0,1,0,0,0,1|2,0,0]=4 4195 B13R1.157 Cc1ccccc1COC(C)(C)C 34a_100000698903_100000210625 [0,1,0,0,0,1|2,0,0]=4 4196 B13R1.157 Cc1ccccc1COC(C)(C)C 34a_100015890283_100000211839 [0,1,0,0,0,1|2,0,0]=4 4197 B13R1.157 Cc1ccccc1COC(C)(C)C 7a_100015890283_100000211839 [0,1,0,0,0,1|2,0,0]=4 4198 B13R1.157 Cc1ccccc1CSC(C)(C)C 62a_100000211839_100000211941 [0,1,0,0,0,1|2,0,0]=4 4199 B13R1.157 Cc1ccccc1CSC(C)(C)C 62a_100000211941_100000211839 [0,1,0,0,0,1|2,0,0]=4 4200 B13R1.157 Cc1ccccc1NCC(C)(C)C 34a_100015192222_100011219605 [0,1,0,0,0,1|2,0,0]=4 4201 B13R1.157 Cc1ccccc1NCC(C)(C)F 34a_100015192222_100011997219 [0,1,0,0,0,1|2,0,0]=4 4202 B13R1.157 Cc1ccccc1NCC(C)(C)O 34a_100015192222_100000764493 [0,1,0,0,0,1|2,0,0]=4 4203 B13R1.157 Cc1ccccc1OCC(C)(C)C 34a_100000210338_100011219605 [0,1,0,0,0,1|2,0,0]=4 4204 B13R1.157 Cc1ccccc1OCC(C)(C)F 34a_100000210338_100011997219 [0,1,0,0,0,1|2,0,0]=4 4205 B13R1.157 Cc1ccccc1OCC(C)(C)O 34a_100000210338_100000764493 [0,1,0,0,0,1|2,0,0]=4 4206 B13R1.157 Cc1ccccc1OCC(C)(C)O 7a_100000210338_100000764493 [0,1,0,0,0,1|2,0,0]=4 4207 B13R1.157 Cc1ccccc1SCC(C)(C)C 62a_100000210755_100011219605 [0,1,0,0,0,1|2,0,0]=4 4208 B13R1.157 Cc1ccccc1SCC(C)(C)C 62a_100011219605_100000210755 [0,1,0,0,0,1|2,0,0]=4 4209 B13R1.157 Cc1ccccc1SCC(C)(C)F 62a_100000210755_100011997219 [0,1,0,0,0,1|2,0,0]=4 4210 B13R1.157 Cc1ccccc1SCC(C)(C)F 62a_100011997219_100000210755 [0,1,0,0,0,1|2,0,0]=4 4211 B13R1.157 Cc1ccccc1SCC(C)(C)O 62a_100000210755_100000764493 [0,1,0,0,0,1|2,0,0]=4 4212 B13R1.157 Cc1ccccc1SCC(C)(C)O 62a_100000764493_100000210755 [0,1,0,0,0,1|2,0,0]=4 4213 B13R1.157 Cc1cccnc1C=CC(C)(C)C 271570a_100102527731_100000751373 [0,1,0,0,0,1|1,0,1]=4 4214 B13R1.157 Cc1cccnc1C=CC(C)(C)O 271570a_200016258132_100000751373 [0,1,0,0,0,1|1,0,1]=4 4215 B13R1.157 Cc1cccnc1CNC(C)(C)C 207a_100000715429_100000698913 [0,1,0,0,0,1|1,0,0]=3 4216 B13R1.157 Cc1cccnc1CNC(C)(C)C 2230a_100000715429_100000696600 [0,1,0,0,0,1|1,0,0]=3 4217 B13R1.157 Cc1cccnc1CNC(C)(C)C 34a_100011223789_100000210625 [0,1,0,0,0,1|1,0,0]=3 4218 B13R1.157 Cc1cccnc1COC(C)(C)C 34a_100000698912_100000210625 [0,1,0,0,0,1|1,0,0]=3 4219 B13R1.157 Cc1cccnc1COC(C)(C)C 34a_100015890283_100000696600 [0,1,0,0,0,1|1,0,0]=3 4220 B13R1.157 Cc1cccnc1COC(C)(C)C 7a_100015890283_100000696600 [0,1,0,0,0,1|1,0,0]=3 4221 B13R1.157 Cc1cccnc1CSC(C)(C)C 62a_100000211941_100000696600 [0,1,0,0,0,1|1,0,0]=3 4222 B13R1.157 Cc1cccnc1CSC(C)(C)C 62a_100000696600_100000211941 [0,1,0,0,0,1|1,0,0]=3 4223 B13R1.157 Cc1cccnc1SCC(C)(C)C 62a_100000751373_100011219605 [0,1,0,0,0,1|1,0,0]=3 4224 B13R1.157 Cc1cccnc1SCC(C)(C)C 62a_100011219605_100000751373 [0,1,0,0,0,1|1,0,0]=3 4225 B13R1.157 Cc1cccnc1SCC(C)(C)F 62a_100000751373_100011997219 [0,1,0,0,0,1|1,0,0]=3 4226 B13R1.157 Cc1cccnc1SCC(C)(C)F 62a_100011997219_100000751373 [0,1,0,0,0,1|1,0,0]=3 4227 B13R1.157 Cc1cccnc1SCC(C)(C)O 62a_100000751373_100000764493 [0,1,0,0,0,1|1,0,0]=3 4228 B13R1.157 Cc1cccnc1SCC(C)(C)O 62a_100000764493_100000751373 [0,1,0,0,0,1|1,0,0]=3 4229 B13R1.157 Cc1cccnc1SC[N+](C)(C)C 62a_100000751373_200000036245 [0,1,0,0,0,1|2,0,0]=4 4230 B13R1.157 Cc1cccnc1SC[N+](C)(C)C 62a_200000036245_100000751373 [0,1,0,0,0,1|2,0,0]=4 4231 B13R1.157 Cc1cccnc1SC[Si](C)(C)C 62a_100000037933_100000751373 [0,1,0,0,0,1|1,1,0]=4 4232 B13R1.157 Cc1cccnc1SC[Si](C)(C)C 62a_100000751373_100000037933 [0,1,0,0,0,1|1,1,0]=4 4233 B13R1.157 Cc1ccnnc1NCC(C)(C)C 27a_100000743828_100000089043 [0,1,0,0,0,1|2,0,0]=4 4234 B13R1.157 Cc1ccnnc1NCC(C)(C)F 27a_100020643315_100000089043 [0,1,0,0,0,1|2,0,0]=4 4235 B13R1.157 Cc1ccnnc1NCC(C)(C)O 27a_100000751335_100000089043 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.157 Cc1ccnnc1SCC(C)(C)C 62a_100011219605_100000089043 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.157 Cc1ccnnc1SCC(C)(C)F 62a_100011997219_100000089043 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.157 Cc1ccnnc1SCC(C)(C)O 62a_100000764493_100000089043 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.157 Cc1cncnc1NCC(C)(C)C 27a_100000743828_100011998708 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.157 Cc1cncnc1NCC(C)(C)F 27a_100020643315_100011998708 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.157 Cc1cncnc1NCC(C)(C)O 27a_100000751335_100011998708 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.157 Cc1cncnc1SCC(C)(C)C 62a_100011219605_100011998708 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.157 Cc1cncnc1SCC(C)(C)C 62a_100011998708_100011219605 [0,1,0,0,0,1|2,0,0]=4 4244 B13R1.157 Cc1cncnc1SCC(C)(C)F 62a_100011997219_100011998708 [0,1,0,0,0,1|2,0,0]=4 4245 B13R1.157 Cc1cncnc1SCC(C)(C)F 62a_100011998708_100011997219 [0,1,0,0,0,1|2,0,0]=4 4246 B13R1.157 Cc1cncnc1SCC(C)(C)O 62a_100000764493_100011998708 [0,1,0,0,0,1|2,0,0]=4 4247 B13R1.157 Cc1cncnc1SCC(C)(C)O 62a_100011998708_100000764493 [0,1,0,0,0,1|2,0,0]=4 4248 B13R1.157 Cc1ncccc1C=CC(C)(C)C 271570a_100102527731_100000751574 [0,1,0,0,0,1|1,0,1]=4 4249 B13R1.157 Cc1ncccc1C=CC(C)(C)O 271570a_200016258132_100000751574 [0,1,0,0,0,1|1,0,1]=4 4250 B13R1.157 Cc1ncccc1CNC(C)(C)C 207a_100000715429_100000751968 [0,1,0,0,0,1|1,0,0]=3 4251 B13R1.157 Cc1ncccc1CNC(C)(C)C 2230a_100000715429_100000732876 [0,1,0,0,0,1|1,0,0]=3 4252 B13R1.157 Cc1ncccc1COC(C)(C)C 34a_100000729262_100000210625 [0,1,0,0,0,1|1,0,0]=3 4253 B13R1.157 Cc1ncccc1COC(C)(C)C 34a_100015890283_100000732876 [0,1,0,0,0,1|1,0,0]=3 4254 B13R1.157 Cc1ncccc1COC(C)(C)C 7a_100015890283_100000732876 [0,1,0,0,0,1|1,0,0]=3 4255 B13R1.157 Cc1ncccc1CSC(C)(C)C 62a_100000211941_100000732876 [0,1,0,0,0,1|1,0,0]=3 4256 B13R1.157 Cc1ncccc1CSC(C)(C)C 62a_100000732876_100000211941 [0,1,0,0,0,1|1,0,0]=3 4257 B13R1.157 Cc1ncccc1OCC(C)(C)C 34a_100000745507_100011219605 [0,1,0,0,0,1|1,0,0]=3 4258 B13R1.157 Cc1ncccc1OCC(C)(C)F 34a_100000745507_100011997219 [0,1,0,0,0,1|1,0,0]=3 4259 B13R1.157 Cc1ncccc1OCC(C)(C)O 34a_100000745507_100000764493 [0,1,0,0,0,1|1,0,0]=3 4260 B13R1.157 Cc1ncccc1OCC(C)(C)O 7a_100000745507_100000764493 [0,1,0,0,0,1|1,0,0]=3 4261 B13R1.157 Cc1ncccc1OC[Si](C)(C)C 7a_100000745507_100000233785 [0,1,0,0,0,1|1,1,0]=4 4262 B13R1.157 Cc1ncccc1SCC(C)(C)C 62a_100000751574_100011219605 [0,1,0,0,0,1|1,0,0]=3 4263 B13R1.157 Cc1ncccc1SCC(C)(C)C 62a_100011219605_100000751574 [0,1,0,0,0,1|1,0,0]=3 4264 B13R1.157 Cc1ncccc1SCC(C)(C)F 62a_100000751574_100011997219 [0,1,0,0,0,1|1,0,0]=3 4265 B13R1.157 Cc1ncccc1SCC(C)(C)F 62a_100011997219_100000751574 [0,1,0,0,0,1|1,0,0]=3 4266 B13R1.157 Cc1ncccc1SCC(C)(C)O 62a_100000751574_100000764493 [0,1,0,0,0,1|1,0,0]=3 4267 B13R1.157 Cc1ncccc1SCC(C)(C)O 62a_100000764493_100000751574 [0,1,0,0,0,1|1,0,0]=3 4268 B13R1.157 Cc1ncccc1SC[N+](C)(C)C 62a_100000751574_200000036245 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.157 Cc1ncccc1SC[N+](C)(C)C 62a_200000036245_100000751574 [0,1,0,0,0,1|2,0,0]=4 4270 B13R1.157 Cc1ncccc1SC[Si](C)(C)C 62a_100000037933_100000751574 [0,1,0,0,0,1|1,1,0]=4 4271 B13R1.157 Cc1ncccc1SC[Si](C)(C)C 62a_100000751574_100000037933 [0,1,0,0,0,1|1,1,0]=4 4272 B13R1.157 Cc1nccnc1C#C[Si](C)(C)C 271570a_100010171944_100011999405 [0,1,0,0,0,1|0,1,1]=4 4273 B13R1.157 Cc1nccnc1C=CC(C)(C)C 271570a_100102527731_100011999405 [0,1,0,0,0,1|0,0,1]=3 4274 B13R1.157 Cc1nccnc1C=CC(C)(C)O 271570a_200016258132_100011999405 [0,1,0,0,0,1|0,0,1]=3 4275 B13R1.157 Cc1nccnc1CNC(C)(C)C 34a_100020641712_100000210625 [0,1,0,0,0,1|0,0,0]=2 4276 B13R1.157 Cc1nccnc1CNC(F)(F)F 34a_100020641712_200103152311 [0,1,0,0,0,1|2,0,0]=4 4277 B13R1.157 Cc1nccnc1CNS(=O)(=O)C 40a_100020641712_100000738038 [0,1,0,0,0,1|2,0,0]=4 4278 B13R1.157 Cc1nccnc1NCC(C)(C)C 27a_100000743828_100011999405 [0,1,0,0,0,1|0,0,0]=2 4279 B13R1.157 Cc1nccnc1NCC(C)(C)F 27a_100020643315_100011999405 [0,1,0,0,0,1|0,0,0]=2 4280 B13R1.157 Cc1nccnc1NCC(C)(C)O 27a_100000751335_100011999405 [0,1,0,0,0,1|0,0,0]=2 4281 B13R1.157 Cc1nccnc1NCC(C)(F)F 27a_100000731000_100011999405 [0,1,0,0,0,1|1,0,0]=3 4282 B13R1.157 Cc1nccnc1NCC(F)(F)F 27a_100000717047_100011999405 [0,1,0,0,0,1|2,0,0]=4 4283 B13R1.157 Cc1nccnc1NC[Si](C)(C)C 27a_102516607284_100011999405 [0,1,0,0,0,1|0,1,0]=3 4284 B13R1.157 Cc1nccnc1OCC(C)(C)C 34a_100000766352_100011219605 [0,1,0,0,0,1|0,0,0]=2 4285 B13R1.157 Cc1nccnc1OCC(C)(C)F 34a_100000766352_100011997219 [0,1,0,0,0,1|0,0,0]=2 4286 B13R1.157 Cc1nccnc1OCC(C)(C)O 34a_100000766352_100000764493 [0,1,0,0,0,1|0,0,0]=2 4287 B13R1.157 Cc1nccnc1SCC(C)(C)C 62a_100011219605_100011999405 [0,1,0,0,0,1|0,0,0]=2 4288 B13R1.157 Cc1nccnc1SCC(C)(C)C 62a_100011999405_100011219605 [0,1,0,0,0,1|0,0,0]=2 4289 B13R1.157 Cc1nccnc1SCC(C)(C)F 62a_100011997219_100011999405 [0,1,0,0,0,1|0,0,0]=2 4290 B13R1.157 Cc1nccnc1SCC(C)(C)F 62a_100011999405_100011997219 [0,1,0,0,0,1|0,0,0]=2 4291 B13R1.157 Cc1nccnc1SCC(C)(C)O 62a_100000764493_100011999405 [0,1,0,0,0,1|0,0,0]=2 4292 B13R1.157 Cc1nccnc1SCC(C)(C)O 62a_100011999405_100000764493 [0,1,0,0,0,1|0,0,0]=2 4293 B13R1.157 Cc1nccnc1SCC(F)(F)F 62a_100000763148_100011999405 [0,1,0,0,0,1|2,0,0]=4 4294 B13R1.157 Cc1nccnc1SCC(F)(F)F 62a_100011999405_100000763148 [0,1,0,0,0,1|2,0,0]=4 4295 B13R1.157 Cc1nccnc1SC[N+](C)(C)C 62a_100011999405_200000036245 [0,1,0,0,0,1|1,0,0]=3 4296 B13R1.157 Cc1nccnc1SC[N+](C)(C)C 62a_200000036245_100011999405 [0,1,0,0,0,1|1,0,0]=3 4297 B13R1.157 Cc1nccnc1SC[Si](C)(C)C 62a_100000037933_100011999405 [0,1,0,0,0,1|0,1,0]=3 4298 B13R1.157 Cc1nccnc1SC[Si](C)(C)C 62a_100011999405_100000037933 [0,1,0,0,0,1|0,1,0]=3 4299 B13R1.157 Cc1ncncc1SCC(C)(C)C 62a_100009819671_100011219605 [0,1,0,0,0,1|2,0,0]=4 4300 B13R1.157 Cc1ncncc1SCC(C)(C)C 62a_100011219605_100009819671 [0,1,0,0,0,1|2,0,0]=4 4301 B13R1.157 Cc1ncncc1SCC(C)(C)F 62a_100009819671_100011997219 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.157 Cc1ncncc1SCC(C)(C)F 62a_100011997219_100009819671 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.157 Cc1ncncc1SCC(C)(C)O 62a_100000764493_100009819671 [0,1,0,0,0,1|2,0,0]=4 4304 B13R1.157 Cc1ncncc1SCC(C)(C)O 62a_100009819671_100000764493 [0,1,0,0,0,1|2,0,0]=4 4305 B13R1.164 C=C(C)CSc1ncc(nc1C)C 62a_100000065684_100000211660 [0,1,0,0,0,1|0,0,2]=4 4306 B13R1.164 C=C(C)CSc1ncc(nc1C)C 62a_100000748629_100000065684 [0,1,0,0,0,1|0,0,2]=4 4307 B13R1.164 C=C(C)CSc1ncc(nc1C)N 62a_100000748629_100009818570 [0,1,0,0,0,1|0,0,2]=4 4308 B13R1.164 C=C(C)CSc1ncc(nc1C)N 62a_100009818570_100000211660 [0,1,0,0,0,1|0,0,2]=4 4309 B13R1.164 CC(C)COc1ccc(nc1Br)Br 34a_100009999766_100000210624 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.164 CC(C)COc1ccc(nc1Br)Br 7a_100009999766_100000210760 [0,1,0,0,0,1|2,0,0]=4 4311 B13R1.164 CC(C)COc1ccc(nc1Br)Cl 34a_100010219353_100000210624 [0,1,0,0,0,1|2,0,0]=4 4312 B13R1.164 CC(C)COc1ccc(nc1Br)Cl 7a_100010219353_100000210760 [0,1,0,0,0,1|2,0,0]=4 4313 B13R1.164 CC(C)COc1ccc(nc1Br)F 34a_100009887730_100000210624 [0,1,0,0,0,1|2,0,0]=4 4314 B13R1.164 CC(C)COc1ccc(nc1Br)F 7a_100009887730_100000210760 [0,1,0,0,0,1|2,0,0]=4 4315 B13R1.164 CC(C)COc1ccc(nc1Br)I 34a_100000725334_100000210624 [0,1,0,0,0,1|2,0,0]=4 4316 B13R1.164 CC(C)COc1ccc(nc1Br)I 7a_100000725334_100000210760 [0,1,0,0,0,1|2,0,0]=4 4317 B13R1.164 CC(C)COc1ccc(nc1Cl)Br 34a_100010246206_100000210624 [0,1,0,0,0,1|2,0,0]=4 4318 B13R1.164 CC(C)COc1ccc(nc1Cl)Br 7a_100010246206_100000210760 [0,1,0,0,0,1|2,0,0]=4 4319 B13R1.164 CC(C)COc1ccc(nc1Cl)Cl 34a_100000101165_100000210624 [0,1,0,0,0,1|2,0,0]=4 4320 B13R1.164 CC(C)COc1ccc(nc1Cl)Cl 7a_100000101165_100000210760 [0,1,0,0,0,1|2,0,0]=4 4321 B13R1.164 CC(C)COc1ccc(nc1Cl)I 34a_100000721234_100000210624 [0,1,0,0,0,1|2,0,0]=4 4322 B13R1.164 CC(C)COc1ccc(nc1Cl)I 7a_100000721234_100000210760 [0,1,0,0,0,1|2,0,0]=4 4323 B13R1.164 CC(C)COc1ccc(nc1F)Br 34a_100009819667_100000210624 [0,1,0,0,0,1|2,0,0]=4 4324 B13R1.164 CC(C)COc1ccc(nc1F)Br 7a_100009819667_100000210760 [0,1,0,0,0,1|2,0,0]=4 4325 B13R1.164 CC(C)COc1ccc(nc1F)Cl 34a_100009880201_100000210624 [0,1,0,0,0,1|2,0,0]=4 4326 B13R1.164 CC(C)COc1ccc(nc1F)Cl 7a_100009880201_100000210760 [0,1,0,0,0,1|2,0,0]=4 4327 B13R1.164 CC(C)COc1ccc(nc1F)F 34a_100000101184_100000210624 [0,1,0,0,0,1|2,0,0]=4 4328 B13R1.164 CC(C)COc1ccc(nc1F)F 7a_100000101184_100000210760 [0,1,0,0,0,1|2,0,0]=4 4329 B13R1.164 CC(C)COc1ccc(nc1I)Br 34a_100010253912_100000210624 [0,1,0,0,0,1|2,0,0]=4 4330 B13R1.164 CC(C)COc1ccc(nc1I)Br 7a_100010253912_100000210760 [0,1,0,0,0,1|2,0,0]=4 4331 B13R1.164 CC(C)COc1ccc(nc1I)Cl 34a_100000696390_100000210624 [0,1,0,0,0,1|2,0,0]=4 4332 B13R1.164 CC(C)COc1ccc(nc1I)Cl 7a_100000696390_100000210760 [0,1,0,0,0,1|2,0,0]=4 4333 B13R1.164 CC(C)COc1ccc(nc1I)F 34a_100010382442_100000210624 [0,1,0,0,0,1|2,0,0]=4 4334 B13R1.164 CC(C)COc1ccc(nc1I)F 7a_100010382442_100000210760 [0,1,0,0,0,1|2,0,0]=4 4335 B13R1.164 CC(C)COc1ccc(nc1N)Br 34a_100000685527_100000210624 [0,1,0,0,0,1|2,0,0]=4 4336 B13R1.164 CC(C)COc1ccc(nc1N)Br 7a_100000685527_100000210760 [0,1,0,0,0,1|2,0,0]=4 4337 B13R1.164 CC(C)COc1ccc(nc1N)Cl 34a_100000717809_100000210624 [0,1,0,0,0,1|2,0,0]=4 4338 B13R1.164 CC(C)COc1ccc(nc1N)Cl 7a_100000717809_100000210760 [0,1,0,0,0,1|2,0,0]=4 4339 B13R1.164 CC(C)COc1ncc(cc1Br)Br 34a_100000701035_100000210624 [0,1,0,0,0,1|2,0,0]=4 4340 B13R1.164 CC(C)COc1ncc(cc1Cl)Br 34a_100012339560_100000210624 [0,1,0,0,0,1|2,0,0]=4 4341 B13R1.164 CC(C)COc1ncc(cc1Cl)F 34a_100009847679_100000210624 [0,1,0,0,0,1|2,0,0]=4 4342 B13R1.164 CC(C)COc1ncc(cc1F)Cl 34a_100011998252_100000210624 [0,1,0,0,0,1|2,0,0]=4 4343 B13R1.164 CC(C)COc1ncc(cc1F)F 34a_100012025737_100000210624 [0,1,0,0,0,1|2,0,0]=4 4344 B13R1.164 CC(C)COc1ncc(cc1N)Br 34a_100000743729_100000210624 [0,1,0,0,0,1|2,0,0]=4 4345 B13R1.164 CC(C)COc1ncc(cc1N)Cl 34a_100011998249_100000210624 [0,1,0,0,0,1|2,0,0]=4 4346 B13R1.164 CC(C)COc1ncc(nc1Cl)Br 34a_100010734560_100000210624 [0,1,0,0,0,1|1,0,0]=3 4347 B13R1.164 CC(C)CSc1ccc(nc1Br)N 62a_100000210624_100010734177 [0,1,0,0,0,1|2,0,0]=4 4348 B13R1.164 CC(C)CSc1ccc(nc1Br)N 62a_100010734177_100000210760 [0,1,0,0,0,1|2,0,0]=4 4349 B13R1.164 CC(C)CSc1ccc(nc1Cl)Br 62a_100000210624_100010246183 [0,1,0,0,0,1|2,0,0]=4 4350 B13R1.164 CC(C)CSc1ccc(nc1Cl)Br 62a_100010246183_100000210760 [0,1,0,0,0,1|2,0,0]=4 4351 B13R1.164 CC(C)CSc1ccc(nc1Cl)Cl 62a_100000210624_100000043682 [0,1,0,0,0,1|2,0,0]=4 4352 B13R1.164 CC(C)CSc1ccc(nc1Cl)N 62a_100000210624_100010270343 [0,1,0,0,0,1|2,0,0]=4 4353 B13R1.164 CC(C)CSc1ccc(nc1Cl)N 62a_100010270343_100000210760 [0,1,0,0,0,1|2,0,0]=4 4354 B13R1.164 CC(C)CSc1ccc(nc1F)Cl 62a_100000210624_100010168078 [0,1,0,0,0,1|2,0,0]=4 4355 B13R1.164 CC(C)CSc1ccc(nc1F)Cl 62a_100010168078_100000210760 [0,1,0,0,0,1|2,0,0]=4 4356 B13R1.164 CC(C)CSc1ccc(nc1F)F 62a_100000070099_100000210760 [0,1,0,0,0,1|2,0,0]=4 4357 B13R1.164 CC(C)CSc1ccc(nc1F)F 62a_100000210624_100000070099 [0,1,0,0,0,1|2,0,0]=4 4358 B13R1.164 CC(C)CSc1ccc(nc1F)N 62a_100000210624_100009882772 [0,1,0,0,0,1|2,0,0]=4 4359 B13R1.164 CC(C)CSc1ccc(nc1F)N 62a_100009882772_100000210760 [0,1,0,0,0,1|2,0,0]=4 4360 B13R1.164 CC(C)CSc1ccc(nc1F)O 62a_100000210624_100009879308 [0,1,0,0,0,1|2,0,0]=4 4361 B13R1.164 CC(C)CSc1ccc(nc1F)O 62a_100009879308_100000210760 [0,1,0,0,0,1|2,0,0]=4 4362 B13R1.164 CC(C)CSc1ccc(nc1N)Cl 62a_100000210624_100010171640 [0,1,0,0,0,1|2,0,0]=4 4363 B13R1.164 CC(C)CSc1ccc(nc1N)Cl 62a_100010171640_100000210760 [0,1,0,0,0,1|2,0,0]=4 4364 B13R1.164 CC(C)CSc1ccc(nc1N)F 62a_100000210624_100009854977 [0,1,0,0,0,1|2,0,0]=4 4365 B13R1.164 CC(C)CSc1ccc(nc1N)F 62a_100009854977_100000210760 [0,1,0,0,0,1|2,0,0]=4 4366 B13R1.164 CC(C)CSc1ccc(nc1N)N 62a_100011356871_100000210760 [0,1,0,0,0,1|2,0,0]=4 4367 B13R1.164 CC(C)CSc1ncc(cc1Br)Cl 62a_100000210624_100012154958 [0,1,0,0,0,1|2,0,0]=4 4368 B13R1.164 CC(C)CSc1ncc(cc1Br)Cl 62a_100012154958_100000210760 [0,1,0,0,0,1|2,0,0]=4 4369 B13R1.164 CC(C)CSc1ncc(cc1F)Br 62a_100000210624_100012348576 [0,1,0,0,0,1|2,0,0]=4 4370 B13R1.164 CC(C)CSc1ncc(cc1F)Br 62a_100012348576_100000210760 [0,1,0,0,0,1|2,0,0]=4 4371 B13R1.164 CC(C)CSc1ncc(cc1F)Cl 62a_100000210624_100012348686 [0,1,0,0,0,1|2,0,0]=4 4372 B13R1.164 CC(C)CSc1ncc(cc1F)Cl 62a_100012348686_100000210760 [0,1,0,0,0,1|2,0,0]=4 4373 B13R1.164 CC(C)CSc1ncc(cc1F)F 62a_100000210624_100011219543 [0,1,0,0,0,1|2,0,0]=4 4374 B13R1.164 CC(C)CSc1ncc(cc1F)F 62a_100011219543_100000210760 [0,1,0,0,0,1|2,0,0]=4 4375 B13R1.164 CC(C)CSc1ncc(cc1F)N 62a_100000210624_100010280766 [0,1,0,0,0,1|2,0,0]=4 4376 B13R1.164 CC(C)CSc1ncc(cc1F)N 62a_100010280766_100000210760 [0,1,0,0,0,1|2,0,0]=4 4377 B13R1.164 CC(C)CSc1ncc(cc1F)O 62a_100000210624_100000063512 [0,1,0,0,0,1|2,0,0]=4 4378 B13R1.164 CC(C)CSc1ncc(cc1N)Br 62a_100000210624_100010090555 [0,1,0,0,0,1|2,0,0]=4 4379 B13R1.164 CC(C)CSc1ncc(cc1N)Br 62a_100010090555_100000210760 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.164 CC(C)CSc1ncc(cc1N)F 62a_100000210624_100009817643 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.164 CC(C)CSc1ncc(cc1N)F 62a_100009817643_100000210760 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.164 CC(C)CSc1ncc(cc1N)N 62a_100000210624_200000093520 [0,1,0,0,0,1|2,0,0]=4 4383 B13R1.164 CC(C)CSc1ncc(cc1N)N 62a_200000093520_100000210760 [0,1,0,0,0,1|2,0,0]=4 4384 B13R1.164 CC(C)CSc1ncc(cc1O)Br 62a_100000210624_100010210634 [0,1,0,0,0,1|2,0,0]=4 4385 B13R1.164 CC(C)CSc1ncc(cc1O)Br 62a_100010210634_100000210760 [0,1,0,0,0,1|2,0,0]=4 4386 B13R1.164 CC(C)CSc1ncc(cc1O)Cl 62a_100000210624_100010233512 [0,1,0,0,0,1|2,0,0]=4 4387 B13R1.164 CC(C)CSc1ncc(cc1O)Cl 62a_100010233512_100000210760 [0,1,0,0,0,1|2,0,0]=4 4388 B13R1.164 CC(C)CSc1ncc(cc1O)F 62a_100000210624_100000079967 [0,1,0,0,0,1|2,0,0]=4 4389 B13R1.164 CC(C)CSc1ncc(cc1O)F 62a_100009820119_100000210760 [0,1,0,0,0,1|2,0,0]=4 4390 B13R1.164 CC(C)CSc1ncc(nc1Br)Br 62a_100000210624_100010235571 [0,1,0,0,0,1|1,0,0]=3 4391 B13R1.164 CC(C)CSc1ncc(nc1Br)Br 62a_100010235571_100000210760 [0,1,0,0,0,1|1,0,0]=3 4392 B13R1.164 CC(C)CSc1ncc(nc1Cl)Cl 62a_100000210624_100010173851 [0,1,0,0,0,1|1,0,0]=3 4393 B13R1.164 CC(C)CSc1ncc(nc1Cl)N 62a_100000210624_100010116657 [0,1,0,0,0,1|1,0,0]=3 4394 B13R1.164 CC(C)CSc1ncc(nc1Cl)N 62a_100010116657_100000210760 [0,1,0,0,0,1|1,0,0]=3 4395 B13R1.164 CC(C)NCc1ccc(nc1Cl)Cl 2230a_100138425928_100000722033 [0,1,0,0,0,1|2,0,0]=4 4396 B13R1.164 CC(C)NCc1ccc(nc1Cl)Cl 34a_100138425928_100000722033 [0,1,0,0,0,1|2,0,0]=4 4397 B13R1.164 CC(C)NCc1ncc(cc1Br)Br 207a_100138425928_100000688198 [0,1,0,0,0,1|2,0,0]=4 4398 B13R1.164 CC(C)NCc1ncc(cc1Br)Cl 207a_100138425928_100010064872 [0,1,0,0,0,1|2,0,0]=4 4399 B13R1.164 CC(C)NCc1ncc(cc1Cl)Br 207a_100138425928_100009814801 [0,1,0,0,0,1|2,0,0]=4 4400 B13R1.164 CC(C)NCc1ncc(cc1Cl)Br 34a_100025703182_100000210206 [0,1,0,0,0,1|2,0,0]=4 4401 B13R1.164 CC(C)NCc1ncc(cc1Cl)Cl 207a_100138425928_100011361609 [0,1,0,0,0,1|2,0,0]=4 4402 B13R1.164 CC(C)NCc1ncc(cc1Cl)F 34a_100020639648_100000210206 [0,1,0,0,0,1|2,0,0]=4 4403 B13R1.164 CC(C)NCc1ncc(cc1F)Br 207a_100138425928_100010180630 [0,1,0,0,0,1|2,0,0]=4 4404 B13R1.164 CC(C)NCc1ncc(cc1F)Br 34a_100015188786_100000210206 [0,1,0,0,0,1|2,0,0]=4 4405 B13R1.164 CC(C)NCc1ncc(cc1F)Cl 207a_100138425928_100009858488 [0,1,0,0,0,1|2,0,0]=4 4406 B13R1.164 CC(C)NCc1ncc(cc1F)Cl 2230a_100138425928_200009879301 [0,1,0,0,0,1|2,0,0]=4 4407 B13R1.164 CC(C)NCc1ncc(cc1F)Cl 34a_100138425928_200009879301 [0,1,0,0,0,1|2,0,0]=4 4408 B13R1.164 CC(C)NCc1ncc(cc1F)F 34a_100015188779_100000210206 [0,1,0,0,0,1|2,0,0]=4 4409 B13R1.164 CC(C)NCc1ncc(nc1Cl)Cl 2230a_100020639390_100000210206 [0,1,0,0,0,1|1,0,0]=3 4410 B13R1.164 CC(C)OCc1ccc(nc1Br)Br 34a_200010005763_100000210206 [0,1,0,0,0,1|2,0,0]=4 4411 B13R1.164 CC(C)OCc1ccc(nc1Br)Br 7a_200010005763_100000210206 [0,1,0,0,0,1|2,0,0]=4 4412 B13R1.164 CC(C)OCc1ccc(nc1Cl)Cl 34a_100000212225_100000722033 [0,1,0,0,0,1|2,0,0]=4 4413 B13R1.164 CC(C)OCc1ccc(nc1Cl)Cl 34a_100000720492_100000210206 [0,1,0,0,0,1|2,0,0]=4 4414 B13R1.164 CC(C)OCc1ccc(nc1Cl)Cl 7a_100000720492_100000210206 [0,1,0,0,0,1|2,0,0]=4 4415 B13R1.164 CC(C)OCc1ccc(nc1F)Br 34a_100010065253_100000210206 [0,1,0,0,0,1|2,0,0]=4 4416 B13R1.164 CC(C)OCc1ccc(nc1F)Br 7a_100010065253_100000210206 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.164 CC(C)OCc1ccc(nc1F)Cl 34a_100009870654_100000210206 [0,1,0,0,0,1|2,0,0]=4 4418 B13R1.164 CC(C)OCc1ccc(nc1F)Cl 7a_100009870654_100000210206 [0,1,0,0,0,1|2,0,0]=4 4419 B13R1.164 CC(C)OCc1ncc(cc1Br)Br 34a_100012354961_100000210206 [0,1,0,0,0,1|2,0,0]=4 4420 B13R1.164 CC(C)OCc1ncc(cc1Br)Br 7a_100012354961_100000210206 [0,1,0,0,0,1|2,0,0]=4 4421 B13R1.164 CC(C)OCc1ncc(cc1Br)Cl 34a_100010065237_100000210206 [0,1,0,0,0,1|2,0,0]=4 4422 B13R1.164 CC(C)OCc1ncc(cc1Br)Cl 7a_100010065237_100000210206 [0,1,0,0,0,1|2,0,0]=4 4423 B13R1.164 CC(C)OCc1ncc(cc1Cl)Br 34a_100010065239_100000210206 [0,1,0,0,0,1|2,0,0]=4 4424 B13R1.164 CC(C)OCc1ncc(cc1Cl)Br 7a_100010065239_100000210206 [0,1,0,0,0,1|2,0,0]=4 4425 B13R1.164 CC(C)OCc1ncc(cc1Cl)Cl 34a_100103146734_100000210206 [0,1,0,0,0,1|2,0,0]=4 4426 B13R1.164 CC(C)OCc1ncc(cc1Cl)Cl 7a_100103146734_100000210206 [0,1,0,0,0,1|2,0,0]=4 4427 B13R1.164 CC(C)OCc1ncc(cc1F)Br 34a_100010065252_100000210206 [0,1,0,0,0,1|2,0,0]=4 4428 B13R1.164 CC(C)OCc1ncc(cc1F)Br 7a_100010065252_100000210206 [0,1,0,0,0,1|2,0,0]=4 4429 B13R1.164 CC(C)OCc1ncc(cc1F)Cl 34a_100000212225_200009879301 [0,1,0,0,0,1|2,0,0]=4 4430 B13R1.164 CC(C)OCc1ncc(cc1F)Cl 34a_100009885607_100000210206 [0,1,0,0,0,1|2,0,0]=4 4431 B13R1.164 CC(C)OCc1ncc(cc1F)Cl 7a_100009885607_100000210206 [0,1,0,0,0,1|2,0,0]=4 4432 B13R1.164 CC(C)OCc1ncc(cc1F)F 34a_100000104222_100000210206 [0,1,0,0,0,1|2,0,0]=4 4433 B13R1.164 CC(C)OCc1ncc(cc1F)F 7a_100000104222_100000210206 [0,1,0,0,0,1|2,0,0]=4 4434 B13R1.164 CC(C)SCc1ccc(nc1Cl)Cl 62a_100000210206_100000722033 [0,1,0,0,0,1|2,0,0]=4 4435 B13R1.164 CC(C)SCc1ccc(nc1Cl)Cl 62a_100000722033_100000210206 [0,1,0,0,0,1|2,0,0]=4 4436 B13R1.164 CC(C)SCc1ncc(cc1F)Cl 62a_100000210206_200009879301 [0,1,0,0,0,1|2,0,0]=4 4437 B13R1.164 CC(C)SCc1ncc(cc1F)Cl 62a_200009879301_100000210206 [0,1,0,0,0,1|2,0,0]=4 4438 B13R1.164 CC(O)COc1ncc(nc1Cl)Br 34a_100010734560_100011218427 [0,1,0,0,0,1|2,0,0]=4 4439 B13R1.164 CC(O)CSc1ncc(nc1Br)Br 62a_100010235571_100011218427 [0,1,0,0,0,1|2,0,0]=4 4440 B13R1.164 CC(O)CSc1ncc(nc1Br)Br 62a_100011218427_100010235571 [0,1,0,0,0,1|2,0,0]=4 4441 B13R1.164 CC(O)CSc1ncc(nc1Cl)Cl 62a_100011218427_100010173851 [0,1,0,0,0,1|2,0,0]=4 4442 B13R1.164 CC(O)CSc1ncc(nc1Cl)N 62a_100010116657_100011218427 [0,1,0,0,0,1|2,0,0]=4 4443 B13R1.164 CC(O)CSc1ncc(nc1Cl)N 62a_100011218427_100010116657 [0,1,0,0,0,1|2,0,0]=4 4444 B13R1.164 C[C@@H](O)COc1ncc(nc1Cl)Br 34a_100010734560_100009817552 [0,1,0,0,0,1|2,0,0]=4 4445 B13R1.164 C[C@@H](O)CSc1ncc(nc1Br)Br 62a_100009817552_100010235571 [0,1,0,0,0,1|2,0,0]=4 4446 B13R1.164 C[C@@H](O)CSc1ncc(nc1Br)Br 62a_100010235571_100009817552 [0,1,0,0,0,1|2,0,0]=4 4447 B13R1.164 C[C@@H](O)CSc1ncc(nc1Cl)Cl 62a_100009817552_100010173851 [0,1,0,0,0,1|2,0,0]=4 4448 B13R1.164 C[C@@H](O)CSc1ncc(nc1Cl)N 62a_100009817552_100010116657 [0,1,0,0,0,1|2,0,0]=4 4449 B13R1.164 C[C@@H](O)CSc1ncc(nc1Cl)N 62a_100010116657_100009817552 [0,1,0,0,0,1|2,0,0]=4 4450 B13R1.164 Cc1cc(=O)[nH]nc1SCC(C)C 62a_100000210624_100000081757 [0,1,0,0,0,1|2,0,0]=4 4451 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 207a_100138425928_100000687586 [0,1,0,0,0,1|2,0,0]=4 4452 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 2230a_100138425928_100000708836 [0,1,0,0,0,1|2,0,0]=4 4453 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 34a_100000753881_100000210206 [0,1,0,0,0,1|2,0,0]=4 4454 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 34a_100138425928_100000708836 [0,1,0,0,0,1|2,0,0]=4 4455 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 207a_100138425928_100000766358 [0,1,0,0,0,1|2,0,0]=4 4456 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 2230a_100138425928_100012361307 [0,1,0,0,0,1|2,0,0]=4 4457 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 34a_100138425928_100012361307 [0,1,0,0,0,1|2,0,0]=4 4458 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 34a_103436540063_100000210206 [0,1,0,0,0,1|2,0,0]=4 4459 B13R1.164 Cc1cc(ccc1CNC(C)C)F 207a_100138425928_100000745986 [0,1,0,0,0,1|2,0,0]=4 4460 B13R1.164 Cc1cc(ccc1CNC(C)C)F 2230a_100138425928_100000700533 [0,1,0,0,0,1|2,0,0]=4 4461 B13R1.164 Cc1cc(ccc1CNC(C)C)F 34a_100137329023_100000210206 [0,1,0,0,0,1|2,0,0]=4 4462 B13R1.164 Cc1cc(ccc1CNC(C)C)F 34a_100138425928_100000700533 [0,1,0,0,0,1|2,0,0]=4 4463 B13R1.164 Cc1cc(ccc1COC(C)C)Br 34a_100000212225_100000708836 [0,1,0,0,0,1|2,0,0]=4 4464 B13R1.164 Cc1cc(ccc1COC(C)C)Br 34a_100000748258_100000210206 [0,1,0,0,0,1|2,0,0]=4 4465 B13R1.164 Cc1cc(ccc1COC(C)C)Br 7a_100000748258_100000210206 [0,1,0,0,0,1|2,0,0]=4 4466 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 34a_100000212225_100012361307 [0,1,0,0,0,1|2,0,0]=4 4467 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 34a_100000702939_100000210206 [0,1,0,0,0,1|2,0,0]=4 4468 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 7a_100000702939_100000210206 [0,1,0,0,0,1|2,0,0]=4 4469 B13R1.164 Cc1cc(ccc1COC(C)C)F 34a_100000212225_100000700533 [0,1,0,0,0,1|2,0,0]=4 4470 B13R1.164 Cc1cc(ccc1COC(C)C)F 34a_100000700136_100000210206 [0,1,0,0,0,1|2,0,0]=4 4471 B13R1.164 Cc1cc(ccc1COC(C)C)F 7a_100000700136_100000210206 [0,1,0,0,0,1|2,0,0]=4 4472 B13R1.164 Cc1cc(ccc1COC(C)C)N 34a_100000102464_100000210206 [0,1,0,0,0,1|2,0,0]=4 4473 B13R1.164 Cc1cc(ccc1COC(C)C)N 7a_100000102464_100000210206 [0,1,0,0,0,1|2,0,0]=4 4474 B13R1.164 Cc1cc(ccc1CSC(C)C)Br 62a_100000210206_100000708836 [0,1,0,0,0,1|2,0,0]=4 4475 B13R1.164 Cc1cc(ccc1CSC(C)C)Br 62a_100000708836_100000210206 [0,1,0,0,0,1|2,0,0]=4 4476 B13R1.164 Cc1cc(ccc1CSC(C)C)Cl 62a_100000210206_100012361307 [0,1,0,0,0,1|2,0,0]=4 4477 B13R1.164 Cc1cc(ccc1CSC(C)C)Cl 62a_100012361307_100000210206 [0,1,0,0,0,1|2,0,0]=4 4478 B13R1.164 Cc1cc(ccc1CSC(C)C)F 62a_100000210206_100000700533 [0,1,0,0,0,1|2,0,0]=4 4479 B13R1.164 Cc1cc(ccc1CSC(C)C)F 62a_100000700533_100000210206 [0,1,0,0,0,1|2,0,0]=4 4480 B13R1.164 Cc1cc(ccc1NCC(C)C)Br 34a_100000211769_100000210624 [0,1,0,0,0,1|2,0,0]=4 4481 B13R1.164 Cc1cc(ccc1NCC(C)C)Br 7a_100000211769_100000210760 [0,1,0,0,0,1|2,0,0]=4 4482 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 34a_100000210418_100000210624 [0,1,0,0,0,1|2,0,0]=4 4483 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 7a_100000210418_100000210760 [0,1,0,0,0,1|2,0,0]=4 4484 B13R1.164 Cc1cc(ccc1NCC(C)C)F 34a_100000211637_100000210624 [0,1,0,0,0,1|2,0,0]=4 4485 B13R1.164 Cc1cc(ccc1NCC(C)C)F 7a_100000211637_100000210760 [0,1,0,0,0,1|2,0,0]=4 4486 B13R1.164 Cc1cc(ccc1NCC(C)C)I 34a_100000184554_100000210624 [0,1,0,0,0,1|2,0,0]=4 4487 B13R1.164 Cc1cc(ccc1NCC(C)C)I 7a_100000184554_100000210760 [0,1,0,0,0,1|2,0,0]=4 4488 B13R1.164 Cc1cc(ccc1NCC(C)C)O 34a_100000756630_100000210624 [0,1,0,0,0,1|2,0,0]=4 4489 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 34a_100000186361_100000210624 [0,1,0,0,0,1|2,0,0]=4 4490 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 7a_100000186361_100000210760 [0,1,0,0,0,1|2,0,0]=4 4491 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 34a_100000211091_100000210624 [0,1,0,0,0,1|2,0,0]=4 4492 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 7a_100000211091_100000210760 [0,1,0,0,0,1|2,0,0]=4 4493 B13R1.164 Cc1cc(ccc1OCC(C)C)F 34a_100000764316_100000210624 [0,1,0,0,0,1|2,0,0]=4 4494 B13R1.164 Cc1cc(ccc1OCC(C)C)F 7a_100000764316_100000210760 [0,1,0,0,0,1|2,0,0]=4 4495 B13R1.164 Cc1cc(ccc1OCC(C)C)I 34a_100011218673_100000210624 [0,1,0,0,0,1|2,0,0]=4 4496 B13R1.164 Cc1cc(ccc1OCC(C)C)I 7a_100011218673_100000210760 [0,1,0,0,0,1|2,0,0]=4 4497 B13R1.164 Cc1cc(ccc1OCC(C)C)N 34a_100011218179_100000210624 [0,1,0,0,0,1|2,0,0]=4 4498 B13R1.164 Cc1cc(ccc1OCC(C)C)N 7a_100011218179_100000210760 [0,1,0,0,0,1|2,0,0]=4 4499 B13R1.164 Cc1cc(ccc1SCC(C)C)Br 62a_100000210624_100000701812 [0,1,0,0,0,1|2,0,0]=4 4500 B13R1.164 Cc1cc(ccc1SCC(C)C)Br 62a_100000701812_100000210760 [0,1,0,0,0,1|2,0,0]=4 4501 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100011219607 [0,1,0,0,0,1|2,0,0]=4 4502 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100011219607_100000210760 [0,1,0,0,0,1|2,0,0]=4 4503 B13R1.164 Cc1cc(ccc1SCC(C)C)F 62a_100000210624_100011205405 [0,1,0,0,0,1|2,0,0]=4 4504 B13R1.164 Cc1cc(ccc1SCC(C)C)F 62a_100011205405_100000210760 [0,1,0,0,0,1|2,0,0]=4 4505 B13R1.164 Cc1cc(ccc1SCC(C)C)N 62a_100000210624_100000210723 [0,1,0,0,0,1|2,0,0]=4 4506 B13R1.164 Cc1cc(ccc1SCC(C)C)N 62a_100000210723_100000210760 [0,1,0,0,0,1|2,0,0]=4 4507 B13R1.164 Cc1cc(ccc1SCC(C)C)O 62a_100000210624_100000690111 [0,1,0,0,0,1|2,0,0]=4 4508 B13R1.164 Cc1cc(cnc1C=CC(C)C)Br 271570a_100016257149_100012353652 [0,1,0,0,0,1|1,0,1]=4 4509 B13R1.164 Cc1cc(cnc1C=CC(C)C)F 271570a_100016257149_100009817009 [0,1,0,0,0,1|1,0,1]=4 4510 B13R1.164 Cc1cc(cnc1C=CC(C)C)N 271570a_100016257149_100000761747 [0,1,0,0,0,1|1,0,1]=4 4511 B13R1.164 Cc1cc(cnc1C=CC(C)C)O 271570a_100016257149_100012000486 [0,1,0,0,0,1|1,0,1]=4 4512 B13R1.164 Cc1cc(cnc1CNC(C)C)Br 207a_100138425928_100010185443 [0,1,0,0,0,1|1,0,0]=3 4513 B13R1.164 Cc1cc(cnc1CNC(C)C)Cl 207a_100138425928_200009887756 [0,1,0,0,0,1|1,0,0]=3 4514 B13R1.164 Cc1cc(cnc1COC(C)C)Br 34a_100010116297_100000210206 [0,1,0,0,0,1|1,0,0]=3 4515 B13R1.164 Cc1cc(cnc1COC(C)C)Br 7a_100010116297_100000210206 [0,1,0,0,0,1|1,0,0]=3 4516 B13R1.164 Cc1cc(cnc1OCC(C)C)Br 34a_100000685391_100000210624 [0,1,0,0,0,1|1,0,0]=3 4517 B13R1.164 Cc1cc(cnc1OCC(C)O)Br 34a_100000685391_100011218427 [0,1,0,0,0,1|2,0,0]=4 4518 B13R1.164 Cc1cc(cnc1OC[C@@H](C)O)Br 34a_100000685391_100009817552 [0,1,0,0,0,1|2,0,0]=4 4519 B13R1.164 Cc1cc(cnc1SCC(C)C)Br 62a_100000210624_100012353652 [0,1,0,0,0,1|1,0,0]=3 4520 B13R1.164 Cc1cc(cnc1SCC(C)C)Br 62a_100012353652_100000210760 [0,1,0,0,0,1|1,0,0]=3 4521 B13R1.164 Cc1cc(cnc1SCC(C)C)F 62a_100000210624_100009817009 [0,1,0,0,0,1|1,0,0]=3 4522 B13R1.164 Cc1cc(cnc1SCC(C)C)F 62a_100009817009_100000210760 [0,1,0,0,0,1|1,0,0]=3 4523 B13R1.164 Cc1cc(cnc1SCC(C)C)N 62a_100000210624_100000761747 [0,1,0,0,0,1|1,0,0]=3 4524 B13R1.164 Cc1cc(cnc1SCC(C)C)N 62a_100000761747_100000210760 [0,1,0,0,0,1|1,0,0]=3 4525 B13R1.164 Cc1cc(cnc1SCC(C)C)O 62a_100000210624_100012000486 [0,1,0,0,0,1|1,0,0]=3 4526 B13R1.164 Cc1cc(cnc1SCC(C)C)O 62a_100012000486_100000210760 [0,1,0,0,0,1|1,0,0]=3 4527 B13R1.164 Cc1cc(cnc1SCC(C)O)Br 62a_100011218427_100012353652 [0,1,0,0,0,1|2,0,0]=4 4528 B13R1.164 Cc1cc(cnc1SCC(C)O)Br 62a_100012353652_100011218427 [0,1,0,0,0,1|2,0,0]=4 4529 B13R1.164 Cc1cc(cnc1SCC(C)O)F 62a_100009817009_100011218427 [0,1,0,0,0,1|2,0,0]=4 4530 B13R1.164 Cc1cc(cnc1SCC(C)O)F 62a_100011218427_100009817009 [0,1,0,0,0,1|2,0,0]=4 4531 B13R1.164 Cc1cc(cnc1SCC(C)O)N 62a_100000761747_100011218427 [0,1,0,0,0,1|2,0,0]=4 4532 B13R1.164 Cc1cc(cnc1SCC(C)O)N 62a_100011218427_100000761747 [0,1,0,0,0,1|2,0,0]=4 4533 B13R1.164 Cc1cc(cnc1SCC(C)O)O 62a_100011218427_100012000486 [0,1,0,0,0,1|2,0,0]=4 4534 B13R1.164 Cc1cc(cnc1SCC(C)O)O 62a_100012000486_100011218427 [0,1,0,0,0,1|2,0,0]=4 4535 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)Br 62a_100009817552_100012353652 [0,1,0,0,0,1|2,0,0]=4 4536 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)Br 62a_100012353652_100009817552 [0,1,0,0,0,1|2,0,0]=4 4537 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)F 62a_100009817009_100009817552 [0,1,0,0,0,1|2,0,0]=4 4538 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)F 62a_100009817552_100009817009 [0,1,0,0,0,1|2,0,0]=4 4539 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)N 62a_100000761747_100009817552 [0,1,0,0,0,1|2,0,0]=4 4540 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)N 62a_100009817552_100000761747 [0,1,0,0,0,1|2,0,0]=4 4541 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)O 62a_100009817552_100012000486 [0,1,0,0,0,1|2,0,0]=4 4542 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)O 62a_100012000486_100009817552 [0,1,0,0,0,1|2,0,0]=4 4543 B13R1.164 Cc1cc(nnc1SCC(C)C)N 62a_100000123434_100000210760 [0,1,0,0,0,1|2,0,0]=4 4544 B13R1.164 Cc1cc(nnc1SCC(C)C)N 62a_100000210624_100000123434 [0,1,0,0,0,1|2,0,0]=4 4545 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 207a_100138425928_100000211342 [0,1,0,0,0,1|2,0,0]=4 4546 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 2230a_100138425928_100011219618 [0,1,0,0,0,1|2,0,0]=4 4547 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 34a_100000737523_100000210206 [0,1,0,0,0,1|2,0,0]=4 4548 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 34a_100138425928_100011219618 [0,1,0,0,0,1|2,0,0]=4 4549 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 34a_100000212225_100011219618 [0,1,0,0,0,1|2,0,0]=4 4550 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 34a_100011215341_100000210206 [0,1,0,0,0,1|2,0,0]=4 4551 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 7a_100011215341_100000210206 [0,1,0,0,0,1|2,0,0]=4 4552 B13R1.164 Cc1ccc(c(c1)C)CSC(C)C 62a_100000210206_100011219618 [0,1,0,0,0,1|2,0,0]=4 4553 B13R1.164 Cc1ccc(c(c1)C)CSC(C)C 62a_100011219618_100000210206 [0,1,0,0,0,1|2,0,0]=4 4554 B13R1.164 Cc1ccc(c(c1)C)NCC(C)C 34a_100000736561_100000210624 [0,1,0,0,0,1|2,0,0]=4 4555 B13R1.164 Cc1ccc(c(c1)C)NCC(C)C 7a_100000736561_100000210760 [0,1,0,0,0,1|2,0,0]=4 4556 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 34a_100000211776_100000210624 [0,1,0,0,0,1|2,0,0]=4 4557 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 7a_100000211776_100000210760 [0,1,0,0,0,1|2,0,0]=4 4558 B13R1.164 Cc1ccc(c(c1)C)SCC(C)C 62a_100000210624_100011217332 [0,1,0,0,0,1|2,0,0]=4 4559 B13R1.164 Cc1ccc(c(c1)C)SCC(C)C 62a_100011217332_100000210760 [0,1,0,0,0,1|2,0,0]=4 4560 B13R1.164 Cc1ccc(c(n1)Br)CNC(C)C 2230a_100138425928_200010064658 [0,1,0,0,0,1|2,0,0]=4 4561 B13R1.164 Cc1ccc(c(n1)Br)CNC(C)C 34a_100138425928_200010064658 [0,1,0,0,0,1|2,0,0]=4 4562 B13R1.164 Cc1ccc(c(n1)Br)COC(C)C 34a_100000212225_200010064658 [0,1,0,0,0,1|2,0,0]=4 4563 B13R1.164 Cc1ccc(c(n1)Br)CSC(C)C 62a_100000210206_200010064658 [0,1,0,0,0,1|2,0,0]=4 4564 B13R1.164 Cc1ccc(c(n1)Br)CSC(C)C 62a_200010064658_100000210206 [0,1,0,0,0,1|2,0,0]=4 4565 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)C 34a_100000702858_100000210624 [0,1,0,0,0,1|2,0,0]=4 4566 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)C 7a_100000702858_100000210760 [0,1,0,0,0,1|2,0,0]=4 4567 B13R1.164 Cc1ccc(c(n1)C)C=CC(C)C 271570a_100016257149_100009813853 [0,1,0,0,0,1|1,0,1]=4 4568 B13R1.164 Cc1ccc(c(n1)C)CNC(C)C 207a_100138425928_100011794427 [0,1,0,0,0,1|1,0,0]=3 4569 B13R1.164 Cc1ccc(c(n1)C)COC(C)C 34a_100011756430_100000210206 [0,1,0,0,0,1|1,0,0]=3 4570 B13R1.164 Cc1ccc(c(n1)C)COC(C)C 7a_100011756430_100000210206 [0,1,0,0,0,1|1,0,0]=3 4571 B13R1.164 Cc1ccc(c(n1)C)OCC(C)C 34a_100011218912_100000210624 [0,1,0,0,0,1|1,0,0]=3 4572 B13R1.164 Cc1ccc(c(n1)C)OCC(C)C 7a_100011218912_100000210760 [0,1,0,0,0,1|1,0,0]=3 4573 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 34a_100011218912_100011218427 [0,1,0,0,0,1|2,0,0]=4 4574 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 7a_100011218912_100011218427 [0,1,0,0,0,1|2,0,0]=4 4575 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 34a_100011218912_100009817552 [0,1,0,0,0,1|2,0,0]=4 4576 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 7a_100011218912_100009817552 [0,1,0,0,0,1|2,0,0]=4 4577 B13R1.164 Cc1ccc(c(n1)C)SCC(C)C 62a_100000210624_100009813853 [0,1,0,0,0,1|1,0,0]=3 4578 B13R1.164 Cc1ccc(c(n1)C)SCC(C)C 62a_100009813853_100000210760 [0,1,0,0,0,1|1,0,0]=3 4579 B13R1.164 Cc1ccc(c(n1)C)SCC(C)O 62a_100009813853_100011218427 [0,1,0,0,0,1|2,0,0]=4 4580 B13R1.164 Cc1ccc(c(n1)C)SCC(C)O 62a_100011218427_100009813853 [0,1,0,0,0,1|2,0,0]=4 4581 B13R1.164 Cc1ccc(c(n1)C)SC[C@@H](C)O 62a_100009813853_100009817552 [0,1,0,0,0,1|2,0,0]=4 4582 B13R1.164 Cc1ccc(c(n1)C)SC[C@@H](C)O 62a_100009817552_100009813853 [0,1,0,0,0,1|2,0,0]=4 4583 B13R1.164 Cc1ccc(c(n1)Cl)COC(C)C 34a_102495338573_100000210206 [0,1,0,0,0,1|2,0,0]=4 4584 B13R1.164 Cc1ccc(c(n1)Cl)COC(C)C 7a_102495338573_100000210206 [0,1,0,0,0,1|2,0,0]=4 4585 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)C 34a_100000086286_100000210624 [0,1,0,0,0,1|2,0,0]=4 4586 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)C 7a_100000086286_100000210760 [0,1,0,0,0,1|2,0,0]=4 4587 B13R1.164 Cc1ccc(c(n1)F)OCC(C)C 34a_100000079963_100000210624 [0,1,0,0,0,1|2,0,0]=4 4588 B13R1.164 Cc1ccc(c(n1)F)OCC(C)C 7a_100000079963_100000210760 [0,1,0,0,0,1|2,0,0]=4 4589 B13R1.164 Cc1ccc(c(n1)F)SCC(C)C 62a_100000210624_100010006597 [0,1,0,0,0,1|2,0,0]=4 4590 B13R1.164 Cc1ccc(c(n1)F)SCC(C)C 62a_100010006597_100000210760 [0,1,0,0,0,1|2,0,0]=4 4591 B13R1.164 Cc1ccc(c(n1)I)OCC(C)C 34a_100000023897_100000210624 [0,1,0,0,0,1|2,0,0]=4 4592 B13R1.164 Cc1ccc(c(n1)I)OCC(C)C 7a_100000023897_100000210760 [0,1,0,0,0,1|2,0,0]=4 4593 B13R1.164 Cc1ccc(c(n1)N)OCC(C)C 34a_100000694039_100000210624 [0,1,0,0,0,1|2,0,0]=4 4594 B13R1.164 Cc1ccc(c(n1)N)OCC(C)C 7a_100000694039_100000210760 [0,1,0,0,0,1|2,0,0]=4 4595 B13R1.164 Cc1ccc(c(n1)N)SCC(C)C 62a_100000210624_100009816662 [0,1,0,0,0,1|2,0,0]=4 4596 B13R1.164 Cc1ccc(c(n1)N)SCC(C)C 62a_100009816662_100000210760 [0,1,0,0,0,1|2,0,0]=4 4597 B13R1.164 Cc1ccc(c(n1)O)SCC(C)C 62a_100000210624_100009817604 [0,1,0,0,0,1|2,0,0]=4 4598 B13R1.164 Cc1ccc(c(n1)O)SCC(C)C 62a_100009817604_100000210760 [0,1,0,0,0,1|2,0,0]=4 4599 B13R1.164 Cc1cnc(c(c1)Br)OCC(C)C 34a_100000719714_100000210624 [0,1,0,0,0,1|2,0,0]=4 4600 B13R1.164 Cc1cnc(c(c1)C)C=CC(C)C 271570a_100016257149_100009864548 [0,1,0,0,0,1|1,0,1]=4 4601 B13R1.164 Cc1cnc(c(c1)C)CNC(C)C 2230a_100138425928_100016990036 [0,1,0,0,0,1|1,0,0]=3 4602 B13R1.164 Cc1cnc(c(c1)C)CNC(C)C 34a_100138425928_100016990036 [0,1,0,0,0,1|1,0,0]=3 4603 B13R1.164 Cc1cnc(c(c1)C)COC(C)C 34a_100000212225_100016990036 [0,1,0,0,0,1|1,0,0]=3 4604 B13R1.164 Cc1cnc(c(c1)C)COC(C)C 34a_100012000483_100000210206 [0,1,0,0,0,1|1,0,0]=3 4605 B13R1.164 Cc1cnc(c(c1)C)COC(C)C 7a_100012000483_100000210206 [0,1,0,0,0,1|1,0,0]=3 4606 B13R1.164 Cc1cnc(c(c1)C)CSC(C)C 62a_100000210206_100016990036 [0,1,0,0,0,1|1,0,0]=3 4607 B13R1.164 Cc1cnc(c(c1)C)CSC(C)C 62a_100016990036_100000210206 [0,1,0,0,0,1|1,0,0]=3 4608 B13R1.164 Cc1cnc(c(c1)C)SCC(C)C 62a_100000210624_100009864548 [0,1,0,0,0,1|1,0,0]=3 4609 B13R1.164 Cc1cnc(c(c1)C)SCC(C)C 62a_100009864548_100000210760 [0,1,0,0,0,1|1,0,0]=3 4610 B13R1.164 Cc1cnc(c(c1)C)SCC(C)O 62a_100009864548_100011218427 [0,1,0,0,0,1|2,0,0]=4 4611 B13R1.164 Cc1cnc(c(c1)C)SCC(C)O 62a_100011218427_100009864548 [0,1,0,0,0,1|2,0,0]=4 4612 B13R1.164 Cc1cnc(c(c1)C)SC[C@@H](C)O 62a_100009817552_100009864548 [0,1,0,0,0,1|2,0,0]=4 4613 B13R1.164 Cc1cnc(c(c1)C)SC[C@@H](C)O 62a_100009864548_100009817552 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.164 Cc1cnc(c(c1)F)CNC(C)C 207a_100138425928_100009845184 [0,1,0,0,0,1|2,0,0]=4 4615 B13R1.164 Cc1cnc(c(c1)F)SCC(C)C 62a_100000210624_100009819633 [0,1,0,0,0,1|2,0,0]=4 4616 B13R1.164 Cc1cnc(c(c1)F)SCC(C)C 62a_100009819633_100000210760 [0,1,0,0,0,1|2,0,0]=4 4617 B13R1.164 Cc1cnc(c(c1)N)OCC(C)C 34a_100012000488_100000210624 [0,1,0,0,0,1|2,0,0]=4 4618 B13R1.164 Cc1cnc(c(c1)N)SCC(C)C 62a_100000210624_100000733613 [0,1,0,0,0,1|2,0,0]=4 4619 B13R1.164 Cc1cnc(c(c1)N)SCC(C)C 62a_100000733613_100000210760 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.164 Cc1cnc(c(c1)O)OCC(C)C 271570a_203496583355_200012348017 [0,1,0,0,0,1|2,0,0]=4 4621 B13R1.164 Cc1cnc(c(c1)O)SCC(C)C 62a_100000210624_100012000487 [0,1,0,0,0,1|2,0,0]=4 4622 B13R1.164 Cc1cnc(c(n1)C)C=CC(C)C 271570a_100016257149_100000065684 [0,1,0,0,0,1|0,0,1]=3 4623 B13R1.164 Cc1cnc(c(n1)C)C=CC(C)O 271570a_200011019289_100000065684 [0,1,0,0,0,1|1,0,1]=4 4624 B13R1.164 Cc1cnc(c(n1)C)SCC(C)C 62a_100000065684_100000210760 [0,1,0,0,0,1|0,0,0]=2 4625 B13R1.164 Cc1cnc(c(n1)C)SCC(C)C 62a_100000210624_100000065684 [0,1,0,0,0,1|0,0,0]=2 4626 B13R1.164 Cc1cnc(c(n1)C)SCC(C)O 62a_100000065684_100011218427 [0,1,0,0,0,1|1,0,0]=3 4627 B13R1.164 Cc1cnc(c(n1)C)SCC(C)O 62a_100011218427_100000065684 [0,1,0,0,0,1|1,0,0]=3 4628 B13R1.164 Cc1cnc(c(n1)C)SCC(F)F 62a_100000065684_100011934356 [0,1,0,0,0,1|2,0,0]=4 4629 B13R1.164 Cc1cnc(c(n1)C)SCC(F)F 62a_100011934356_100000065684 [0,1,0,0,0,1|2,0,0]=4 4630 B13R1.164 Cc1cnc(c(n1)C)SC[C@@H](C)O 62a_100000065684_100009817552 [0,1,0,0,0,1|1,0,0]=3 4631 B13R1.164 Cc1cnc(c(n1)C)SC[C@@H](C)O 62a_100009817552_100000065684 [0,1,0,0,0,1|1,0,0]=3 4632 B13R1.164 Cc1nc(ccc1C=CC(C)C)Cl 271570a_100016257149_100000062408 [0,1,0,0,0,1|1,0,1]=4 4633 B13R1.164 Cc1nc(ccc1C=CC(C)C)F 271570a_100016257149_100000688911 [0,1,0,0,0,1|1,0,1]=4 4634 B13R1.164 Cc1nc(ccc1C=CC(C)C)N 271570a_100016257149_100000013003 [0,1,0,0,0,1|1,0,1]=4 4635 B13R1.164 Cc1nc(ccc1C=CC(C)C)O 271570a_100016257149_100000691680 [0,1,0,0,0,1|1,0,1]=4 4636 B13R1.164 Cc1nc(ccc1COC(C)C)F 34a_100000081978_100000210206 [0,1,0,0,0,1|1,0,0]=3 4637 B13R1.164 Cc1nc(ccc1COC(C)C)F 7a_100000081978_100000210206 [0,1,0,0,0,1|1,0,0]=3 4638 B13R1.164 Cc1nc(ccc1OCC(C)C)Br 34a_100012002022_100000210624 [0,1,0,0,0,1|1,0,0]=3 4639 B13R1.164 Cc1nc(ccc1OCC(C)C)Br 7a_100012002022_100000210760 [0,1,0,0,0,1|1,0,0]=3 4640 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 34a_100012184626_100000210624 [0,1,0,0,0,1|1,0,0]=3 4641 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 7a_100012184626_100000210760 [0,1,0,0,0,1|1,0,0]=3 4642 B13R1.164 Cc1nc(ccc1OCC(C)C)F 34a_100009881036_100000210624 [0,1,0,0,0,1|1,0,0]=3 4643 B13R1.164 Cc1nc(ccc1OCC(C)C)F 7a_100009881036_100000210760 [0,1,0,0,0,1|1,0,0]=3 4644 B13R1.164 Cc1nc(ccc1OCC(C)C)I 34a_100010233687_100000210624 [0,1,0,0,0,1|1,0,0]=3 4645 B13R1.164 Cc1nc(ccc1OCC(C)C)I 7a_100010233687_100000210760 [0,1,0,0,0,1|1,0,0]=3 4646 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 34a_100012002022_100011218427 [0,1,0,0,0,1|2,0,0]=4 4647 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 7a_100012002022_100011218427 [0,1,0,0,0,1|2,0,0]=4 4648 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 34a_100012184626_100011218427 [0,1,0,0,0,1|2,0,0]=4 4649 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 7a_100012184626_100011218427 [0,1,0,0,0,1|2,0,0]=4 4650 B13R1.164 Cc1nc(ccc1OCC(C)O)F 34a_100009881036_100011218427 [0,1,0,0,0,1|2,0,0]=4 4651 B13R1.164 Cc1nc(ccc1OCC(C)O)F 7a_100009881036_100011218427 [0,1,0,0,0,1|2,0,0]=4 4652 B13R1.164 Cc1nc(ccc1OCC(C)O)I 34a_100010233687_100011218427 [0,1,0,0,0,1|2,0,0]=4 4653 B13R1.164 Cc1nc(ccc1OCC(C)O)I 7a_100010233687_100011218427 [0,1,0,0,0,1|2,0,0]=4 4654 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 34a_100012002022_100009817552 [0,1,0,0,0,1|2,0,0]=4 4655 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 7a_100012002022_100009817552 [0,1,0,0,0,1|2,0,0]=4 4656 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 34a_100012184626_100009817552 [0,1,0,0,0,1|2,0,0]=4 4657 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 7a_100012184626_100009817552 [0,1,0,0,0,1|2,0,0]=4 4658 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 34a_100009881036_100009817552 [0,1,0,0,0,1|2,0,0]=4 4659 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 7a_100009881036_100009817552 [0,1,0,0,0,1|2,0,0]=4 4660 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 34a_100010233687_100009817552 [0,1,0,0,0,1|2,0,0]=4 4661 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 7a_100010233687_100009817552 [0,1,0,0,0,1|2,0,0]=4 4662 B13R1.164 Cc1nc(ccc1SCC(C)C)Cl 62a_100000062408_100000210760 [0,1,0,0,0,1|1,0,0]=3 4663 B13R1.164 Cc1nc(ccc1SCC(C)C)Cl 62a_100000210624_100000062408 [0,1,0,0,0,1|1,0,0]=3 4664 B13R1.164 Cc1nc(ccc1SCC(C)C)F 62a_100000210624_100000688911 [0,1,0,0,0,1|1,0,0]=3 4665 B13R1.164 Cc1nc(ccc1SCC(C)C)F 62a_100000688911_100000210760 [0,1,0,0,0,1|1,0,0]=3 4666 B13R1.164 Cc1nc(ccc1SCC(C)C)N 62a_100000187202_100000210760 [0,1,0,0,0,1|1,0,0]=3 4667 B13R1.164 Cc1nc(ccc1SCC(C)C)N 62a_100000210624_100000187202 [0,1,0,0,0,1|1,0,0]=3 4668 B13R1.164 Cc1nc(ccc1SCC(C)C)O 62a_100000210624_100000691680 [0,1,0,0,0,1|1,0,0]=3 4669 B13R1.164 Cc1nc(ccc1SCC(C)C)O 62a_100000691680_100000210760 [0,1,0,0,0,1|1,0,0]=3 4670 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100000062408_100011218427 [0,1,0,0,0,1|2,0,0]=4 4671 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100011218427_100000062408 [0,1,0,0,0,1|2,0,0]=4 4672 B13R1.164 Cc1nc(ccc1SCC(C)O)F 62a_100000688911_100011218427 [0,1,0,0,0,1|2,0,0]=4 4673 B13R1.164 Cc1nc(ccc1SCC(C)O)F 62a_100011218427_100000688911 [0,1,0,0,0,1|2,0,0]=4 4674 B13R1.164 Cc1nc(ccc1SCC(C)O)N 62a_100000187202_100011218427 [0,1,0,0,0,1|2,0,0]=4 4675 B13R1.164 Cc1nc(ccc1SCC(C)O)N 62a_100011218427_100000187202 [0,1,0,0,0,1|2,0,0]=4 4676 B13R1.164 Cc1nc(ccc1SCC(C)O)O 62a_100000691680_100011218427 [0,1,0,0,0,1|2,0,0]=4 4677 B13R1.164 Cc1nc(ccc1SCC(C)O)O 62a_100011218427_100000691680 [0,1,0,0,0,1|2,0,0]=4 4678 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100000062408_100009817552 [0,1,0,0,0,1|2,0,0]=4 4679 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100000062408 [0,1,0,0,0,1|2,0,0]=4 4680 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)F 62a_100000688911_100009817552 [0,1,0,0,0,1|2,0,0]=4 4681 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)F 62a_100009817552_100000688911 [0,1,0,0,0,1|2,0,0]=4 4682 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)N 62a_100000187202_100009817552 [0,1,0,0,0,1|2,0,0]=4 4683 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000187202 [0,1,0,0,0,1|2,0,0]=4 4684 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)O 62a_100000691680_100009817552 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000691680 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.164 Cc1nc(cnc1C=CC(C)C)N 271570a_100016257149_100009818570 [0,1,0,0,0,1|0,0,1]=3 4687 B13R1.164 Cc1nc(cnc1C=CC(C)O)N 271570a_200011019289_100009818570 [0,1,0,0,0,1|1,0,1]=4 4688 B13R1.164 Cc1nc(cnc1SCC(C)C)N 62a_100000210624_100009818570 [0,1,0,0,0,1|0,0,0]=2 4689 B13R1.164 Cc1nc(cnc1SCC(C)C)N 62a_100009818570_100000210760 [0,1,0,0,0,1|0,0,0]=2 4690 B13R1.164 Cc1nc(cnc1SCC(C)O)N 62a_100009818570_100011218427 [0,1,0,0,0,1|1,0,0]=3 4691 B13R1.164 Cc1nc(cnc1SCC(C)O)N 62a_100011218427_100009818570 [0,1,0,0,0,1|1,0,0]=3 4692 B13R1.164 Cc1nc(cnc1SCC(F)F)N 62a_100009818570_100011934356 [0,1,0,0,0,1|2,0,0]=4 4693 B13R1.164 Cc1nc(cnc1SCC(F)F)N 62a_100011934356_100009818570 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.164 Cc1nc(cnc1SC[C@@H](C)O)N 62a_100009817552_100009818570 [0,1,0,0,0,1|1,0,0]=3 4695 B13R1.164 Cc1nc(cnc1SC[C@@H](C)O)N 62a_100009818570_100009817552 [0,1,0,0,0,1|1,0,0]=3 4696 B13R1.164 Cc1nc(ncc1SCC(C)C)N 62a_100000210624_100000725598 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.164 Cc1nc(ncc1SCC(C)C)N 62a_100000725598_100000210760 [0,1,0,0,0,1|2,0,0]=4 4698 B13R1.164 Cc1ncc(c(n1)C)COC(C)C 34a_100000699490_100000210206 [0,1,0,0,0,1|2,0,0]=4 4699 B13R1.164 Cc1ncc(c(n1)C)COC(C)C 7a_100000699490_100000210206 [0,1,0,0,0,1|2,0,0]=4 4700 B13R1.164 Cc1ncc(c(n1)C)OCC(C)C 34a_100009864123_100000210624 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.164 Cc1ncc(c(n1)C)OCC(C)C 7a_100009864123_100000210760 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.201 C=C(C)CN(C)c1nccnc1C 27a_100000225649_100011999405 [0,1,0,0,0,1|0,0,2]=4 4703 B13R1.201 CC(C)CN(C)c1ncccc1Br 27a_100000747067_100000696092 [0,1,0,0,0,1|2,0,0]=4 4704 B13R1.201 CC(C)CN(C)c1nccnc1F 27a_100000747067_200010125657 [0,1,0,0,0,1|1,0,0]=3 4705 B13R1.201 CC(C)C[C@H](N)c1cccnc1Br 271570a_100015190218_100010202626 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.201 CC(C)C[C@H](N)c1cccnc1Cl 271570a_100015190218_100000036424 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.201 CC(C)C[C@H](N)c1cccnc1F 271570a_100015190218_100009816115 [0,1,0,0,0,1|2,0,0]=4 4708 B13R1.201 CC(C)C[C@H](N)c1cccnc1N 271570a_100015190218_100000045569 [0,1,0,0,0,1|2,0,0]=4 4709 B13R1.201 CC(C)C[C@H](N)c1ncc[nH]c1=O 271570a_100015190218_100000763361 [0,1,0,0,0,1|1,0,1]=4 4710 B13R1.201 CC(C)C[C@H](N)c1ncccc1Br 271570a_100015190218_100000696092 [0,1,0,0,0,1|2,0,0]=4 4711 B13R1.201 CC(C)C[C@H](N)c1ncccc1Cl 271570a_100015190218_100011356963 [0,1,0,0,0,1|2,0,0]=4 4712 B13R1.201 CC(C)C[C@H](N)c1ncccc1F 271570a_100015190218_100000685392 [0,1,0,0,0,1|2,0,0]=4 4713 B13R1.201 CC(C)C[C@H](N)c1ncccc1N 271570a_100015190218_100000688686 [0,1,0,0,0,1|2,0,0]=4 4714 B13R1.201 CC(C)C[C@H](N)c1ncccc1O 271570a_100015190218_100000034122 [0,1,0,0,0,1|2,0,0]=4 4715 B13R1.201 CC(C)C[C@H](N)c1nccnc1F 271570a_100015190218_200010125657 [0,1,0,0,0,1|1,0,0]=3 4716 B13R1.201 CC(C)C[C@H](N)c1nccnc1N 271570a_100015190218_100000747729 [0,1,0,0,0,1|1,0,0]=3 4717 B13R1.201 CC(C)NC(C)c1cccnc1O 2230a_100159269580_100000210206 [0,1,0,0,0,1|2,0,0]=4 4718 B13R1.201 CC(C)NC(C)c1ncccc1Br 2230a_100159271932_100000210206 [0,1,0,0,0,1|2,0,0]=4 4719 B13R1.201 CC(C)OC(C)c1cccnc1Cl 34a_100009865335_100000210206 [0,1,0,0,0,1|2,0,0]=4 4720 B13R1.201 CC(C)OC(C)c1cccnc1Cl 7a_100009865335_100000210206 [0,1,0,0,0,1|2,0,0]=4 4721 B13R1.201 CC(C)O[C@@H](C)c1ncccc1Br 7a_100013325542_100000210206 [0,1,0,0,0,1|2,0,0]=4 4722 B13R1.201 CC(O)CN(C)c1nccnc1F 27a_100000227577_200010125657 [0,1,0,0,0,1|2,0,0]=4 4723 B13R1.201 Cc1ccccc1C(=O)CC(C)C 1458a_100000212026_100000210624 [0,1,0,0,0,1|2,0,0]=4 4724 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [0,1,0,0,0,1|2,0,0]=4 4725 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [0,1,0,0,0,1|2,0,0]=4 4726 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,1,0,0,0,1|2,0,0]=4 4727 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,1,0,0,0,1|2,0,0]=4 4728 B13R1.201 Cc1ccccc1N(C)CC(C)C 2230a_100000219699_100000210760 [0,1,0,0,0,1|2,0,0]=4 4729 B13R1.201 Cc1ccccc1N(C)CC(C)C 269982a_100000219699_100000210624 [0,1,0,0,0,1|2,0,0]=4 4730 B13R1.201 Cc1ccccc1N(C)CC(C)C 34a_100000219699_100000210624 [0,1,0,0,0,1|2,0,0]=4 4731 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,1,0,0,0,1|2,0,0]=4 4732 B13R1.201 Cc1cccnc1C(C)NC(C)C 2230a_100011536111_100000210206 [0,1,0,0,0,1|1,0,0]=3 4733 B13R1.201 Cc1cccnc1[C@@H](N)CC(C)C 271570a_100015190218_100000751373 [0,1,0,0,0,1|1,0,0]=3 4734 B13R1.201 Cc1ccnnc1N(C)CC(C)C 27a_100000747067_100000089043 [0,1,0,0,0,1|2,0,0]=4 4735 B13R1.201 Cc1ccnnc1[C@@H](N)CC(C)C 271570a_100015190218_100000089043 [0,1,0,0,0,1|2,0,0]=4 4736 B13R1.201 Cc1cncnc1N(C)CC(C)C 27a_100000747067_100011998708 [0,1,0,0,0,1|2,0,0]=4 4737 B13R1.201 Cc1cncnc1[C@@H](N)CC(C)C 271570a_100015190218_100011998708 [0,1,0,0,0,1|2,0,0]=4 4738 B13R1.201 Cc1ncccc1[C@@H](N)CC(C)C 271570a_100015190218_100000751574 [0,1,0,0,0,1|1,0,0]=3 4739 B13R1.201 Cc1nccnc1N(C)CC(C)C 27a_100000747067_100011999405 [0,1,0,0,0,1|0,0,0]=2 4740 B13R1.201 Cc1nccnc1N(C)CC(C)O 27a_100000227577_100011999405 [0,1,0,0,0,1|1,0,0]=3 4741 B13R1.201 Cc1nccnc1[C@@H](N)CC(C)C 271570a_100015190218_100011999405 [0,1,0,0,0,1|0,0,0]=2 4742 B13R1.201 Cc1ncncc1[C@@H](N)CC(C)C 271570a_100015190218_100009819671 [0,1,0,0,0,1|2,0,0]=4 4743 B13R1.202 CC(=O)C(C)Sc1nccnc1C 62a_100009814033_100011999405 [0,1,0,0,0,1|1,0,1]=4 4744 B13R1.202 CC(=O)C(C)Sc1nccnc1C 62a_100011999405_100009814033 [0,1,0,0,0,1|1,0,1]=4 4745 B13R1.202 CC(C)C(=O)Cc1cccnc1Br 1458a_100000210198_100010140945 [0,1,0,0,0,1|2,0,0]=4 4746 B13R1.202 CC(C)C(=O)Cc1cccnc1Cl 1458a_100000093521_100000210206 [0,1,0,0,0,1|2,0,0]=4 4747 B13R1.202 CC(C)C(=O)Cc1cccnc1Cl 1458a_100000210198_100000045678 [0,1,0,0,0,1|2,0,0]=4 4748 B13R1.202 CC(C)C(=O)Cc1cccnc1F 1458a_100000210198_100000099810 [0,1,0,0,0,1|2,0,0]=4 4749 B13R1.202 CC(C)C(=O)Cc1ncccc1Br 1458a_100000210198_100025702911 [0,1,0,0,0,1|2,0,0]=4 4750 B13R1.202 CC(C)C(=O)Cc1ncccc1Br 1458a_200012357574_100000210206 [0,1,0,0,0,1|2,0,0]=4 4751 B13R1.202 CC(C)C(=O)Cc1ncccc1Cl 1458a_100000210198_100000099807 [0,1,0,0,0,1|2,0,0]=4 4752 B13R1.202 CC(C)C(=O)Cc1ncccc1Cl 1458a_100011998755_100000210206 [0,1,0,0,0,1|2,0,0]=4 4753 B13R1.202 CC(C)C(=O)Cc1ncccc1F 1458a_100000210198_100000104219 [0,1,0,0,0,1|2,0,0]=4 4754 B13R1.202 CC(C)C(=O)Cc1ncccc1O 1458a_100000210198_200020655725 [0,1,0,0,0,1|2,0,0]=4 4755 B13R1.202 CC(C)C(C)Nc1ncccc1Br 27a_100000211541_100000696092 [0,1,0,0,0,1|2,0,0]=4 4756 B13R1.202 CC(C)C(C)Nc1nccnc1F 27a_100000211541_200010125657 [0,1,0,0,0,1|1,0,0]=3 4757 B13R1.202 CC(C)N(C)Cc1cccnc1Br 269982a_200000211004_100010140945 [0,1,0,0,0,1|2,0,0]=4 4758 B13R1.202 CC(C)N(C)Cc1cccnc1Cl 2230a_103496529121_100000210206 [0,1,0,0,0,1|2,0,0]=4 4759 B13R1.202 CC(C)N(C)Cc1cccnc1Cl 269982a_103496529121_100000210206 [0,1,0,0,0,1|2,0,0]=4 4760 B13R1.202 CC(C)N(C)Cc1cccnc1Cl 269982a_200000211004_100000045678 [0,1,0,0,0,1|2,0,0]=4 4761 B13R1.202 CC(C)N(C)Cc1cccnc1F 269982a_200000211004_100000099810 [0,1,0,0,0,1|2,0,0]=4 4762 B13R1.202 CC(C)N(C)Cc1cccnc1O 270004a_200000211004_100011998315 [0,1,0,0,0,1|2,0,0]=4 4763 B13R1.202 CC(C)N(C)Cc1ncccc1Br 270004a_200000211004_100011934733 [0,1,0,0,0,1|2,0,0]=4 4764 B13R1.202 CC(C)N(C)Cc1ncccc1Cl 269982a_200000211004_100000099807 [0,1,0,0,0,1|2,0,0]=4 4765 B13R1.202 CC(C)N(C)Cc1ncccc1Cl 270004a_200000211004_100012001307 [0,1,0,0,0,1|2,0,0]=4 4766 B13R1.202 CC(C)N(C)Cc1ncccc1F 269982a_200000211004_100000104219 [0,1,0,0,0,1|2,0,0]=4 4767 B13R1.202 CC(C)N(C)Cc1ncccc1F 270004a_200000211004_100011934734 [0,1,0,0,0,1|2,0,0]=4 4768 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000211839 [0,1,0,0,0,1|2,0,0]=4 4769 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000212180_100000210206 [0,1,0,0,0,1|2,0,0]=4 4770 B13R1.202 Cc1ccccc1CN(C)C(C)C 2230a_100000184421_100000210206 [0,1,0,0,0,1|2,0,0]=4 4771 B13R1.202 Cc1ccccc1CN(C)C(C)C 2230a_100015184664_200000210301 [0,1,0,0,0,1|2,0,0]=4 4772 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_100000184421_100000210206 [0,1,0,0,0,1|2,0,0]=4 4773 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_100015184664_200000210301 [0,1,0,0,0,1|2,0,0]=4 4774 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_200000211004_100000211839 [0,1,0,0,0,1|2,0,0]=4 4775 B13R1.202 Cc1ccccc1CN(C)C(C)C 270004a_200000211004_100000211143 [0,1,0,0,0,1|2,0,0]=4 4776 B13R1.202 Cc1ccccc1CN(C)C(C)C 34a_100015184664_200000210301 [0,1,0,0,0,1|2,0,0]=4 4777 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 2230a_100015184664_200025704644 [0,1,0,0,0,1|2,0,0]=4 4778 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 269982a_100015184664_200025704644 [0,1,0,0,0,1|2,0,0]=4 4779 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 34a_100015184664_200025704644 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.202 Cc1cccnc1CC(=O)C(C)C 1458a_100000210198_100000696600 [0,1,0,0,0,1|1,0,0]=3 4781 B13R1.202 Cc1cccnc1CC(=O)C(C)C 1458a_200000722269_100000210206 [0,1,0,0,0,1|1,0,0]=3 4782 B13R1.202 Cc1cccnc1CC(=O)C(C)F 1458a_100000062450_100000696600 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.202 Cc1cccnc1CC(=O)N(C)C 11a_100102631434_200000722269 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.202 Cc1cccnc1CC(=O)N(C)C 1626a_100102631434_200000722269 [0,1,0,0,0,1|2,0,0]=4 4785 B13R1.202 Cc1cccnc1CC(=O)N(C)C 240690a_100102631434_200000722269 [0,1,0,0,0,1|2,0,0]=4 4786 B13R1.202 Cc1cccnc1CC(=O)[C@@H](C)O 1458a_100000717761_100000696600 [0,1,0,0,0,1|2,0,0]=4 4787 B13R1.202 Cc1cccnc1CC(=O)[C@H](C)O 1458a_217856618621_100000696600 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.202 Cc1cccnc1CC(C)N(C)C 270004a_100102631434_100011823981 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.202 Cc1cccnc1CN(C)C(C)C 269982a_200000211004_100000696600 [0,1,0,0,0,1|1,0,0]=3 4790 B13R1.202 Cc1cccnc1CN(C)C(C)C 270004a_200000211004_100000698913 [0,1,0,0,0,1|1,0,0]=3 4791 B13R1.202 Cc1ccnnc1NC(C)C(C)C 27a_100000211541_100000089043 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.202 Cc1cncnc1NC(C)C(C)C 27a_100000211541_100011998708 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.202 Cc1ncccc1CC(=O)C(C)C 1458a_100000210198_100000732876 [0,1,0,0,0,1|1,0,0]=3 4794 B13R1.202 Cc1ncccc1CC(=O)C(C)F 1458a_100000062450_100000732876 [0,1,0,0,0,1|2,0,0]=4 4795 B13R1.202 Cc1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000732876 [0,1,0,0,0,1|2,0,0]=4 4796 B13R1.202 Cc1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100000732876 [0,1,0,0,0,1|2,0,0]=4 4797 B13R1.202 Cc1ncccc1CN(C)C(C)C 2230a_200011875998_100000210206 [0,1,0,0,0,1|1,0,0]=3 4798 B13R1.202 Cc1ncccc1CN(C)C(C)C 269982a_200000211004_100000732876 [0,1,0,0,0,1|1,0,0]=3 4799 B13R1.202 Cc1ncccc1CN(C)C(C)C 269982a_200011875998_100000210206 [0,1,0,0,0,1|1,0,0]=3 4800 B13R1.202 Cc1ncccc1CN(C)C(C)C 270004a_200000211004_100000751968 [0,1,0,0,0,1|1,0,0]=3 4801 B13R1.202 Cc1nccnc1CN(C)C(C)C 270004a_200000211004_100000050726 [0,1,0,0,0,1|0,0,0]=2 4802 B13R1.202 Cc1nccnc1NC(C)C(C)C 27a_100000211541_100011999405 [0,1,0,0,0,1|0,0,0]=2 4803 B13R1.528 C#CC(C)NCc1cccnc1C 2230a_100000707721_100000732876 [0,1,0,0,0,1|1,0,1]=4 4804 B13R1.528 C#CC(C)NCc1cccnc1C 270004a_100000707721_100000751968 [0,1,0,0,0,1|1,0,1]=4 4805 B13R1.528 C#CC(C)NCc1cccnc1C 34a_100000707721_100000732876 [0,1,0,0,0,1|1,0,1]=4 4806 B13R1.528 C#CC(C)NCc1ncccc1C 2230a_100000707721_100000696600 [0,1,0,0,0,1|1,0,1]=4 4807 B13R1.528 C#CC(C)NCc1ncccc1C 270004a_100000707721_100000698913 [0,1,0,0,0,1|1,0,1]=4 4808 B13R1.528 C#CC(C)NCc1ncccc1C 34a_100000707721_100000696600 [0,1,0,0,0,1|1,0,1]=4 4809 B13R1.528 C#CC(C)NCc1ncccc1C 34a_100011223789_200000035995 [0,1,0,0,0,1|1,0,1]=4 4810 B13R1.528 C#CC(C)NCc1nccnc1C 270004a_100000707721_100000050726 [0,1,0,0,0,1|0,0,1]=3 4811 B13R1.528 C#CC(C)NCc1nccnc1C 34a_100020641712_200000035995 [0,1,0,0,0,1|0,0,1]=3 4812 B13R1.528 C#CC(C)OCc1cccnc1C 34a_100000729262_200000035995 [0,1,0,0,0,1|1,0,1]=4 4813 B13R1.528 C#CC(C)OCc1ncccc1C 34a_100000698912_200000035995 [0,1,0,0,0,1|1,0,1]=4 4814 B13R1.528 C#CC(C)OCc1nccnc1Cl 34a_100000057004_200000035995 [0,1,0,0,0,1|1,0,1]=4 4815 B13R1.528 C#CC(C)SCc1cccnc1C 62a_200000035995_100000732876 [0,1,0,0,0,1|1,0,1]=4 4816 B13R1.528 C#CC(C)SCc1ncccc1C 62a_200000035995_100000696600 [0,1,0,0,0,1|1,0,1]=4 4817 B13R1.528 C#C[C@@H](C)OCc1cccnc1C 34a_100009815206_100000732876 [0,1,0,0,0,1|1,0,1]=4 4818 B13R1.528 C#C[C@@H](C)OCc1cccnc1C 7a_100009815206_100000732876 [0,1,0,0,0,1|1,0,1]=4 4819 B13R1.528 C#C[C@@H](C)OCc1ncccc1C 34a_100009815206_100000696600 [0,1,0,0,0,1|1,0,1]=4 4820 B13R1.528 C#C[C@@H](C)OCc1ncccc1C 7a_100009815206_100000696600 [0,1,0,0,0,1|1,0,1]=4 4821 B13R1.528 C=CC(C)OCc1cccnc1C 34a_100000695699_100000732876 [0,1,0,0,0,1|1,0,1]=4 4822 B13R1.528 C=CC(C)OCc1ncccc1C 34a_100000695699_100000696600 [0,1,0,0,0,1|1,0,1]=4 4823 B13R1.528 C=CC(C)SCc1cccnc1C 62a_100011215867_100000732876 [0,1,0,0,0,1|1,0,1]=4 4824 B13R1.528 C=CC(C)SCc1ncccc1C 62a_100011215867_100000696600 [0,1,0,0,0,1|1,0,1]=4 4825 B13R1.528 C=CC(O)COc1nccnc1C 34a_100000766352_100000730141 [0,1,0,0,0,1|1,0,1]=4 4826 B13R1.528 C=CC(O)CSc1nccnc1C 62a_100000730141_100011999405 [0,1,0,0,0,1|1,0,1]=4 4827 B13R1.528 C=CC(O)CSc1nccnc1C 62a_100011999405_100000730141 [0,1,0,0,0,1|1,0,1]=4 4828 B13R1.528 CC(C#N)NCc1nccnc1Cl 2230a_100000729963_100000184139 [0,1,0,0,0,1|1,0,1]=4 4829 B13R1.528 CC(CF)OCc1cccnc1Br 34a_100016041109_100010140945 [0,1,0,0,0,1|2,0,0]=4 4830 B13R1.528 CC(CF)OCc1cccnc1Br 7a_100016041109_100010140945 [0,1,0,0,0,1|2,0,0]=4 4831 B13R1.528 CC(CF)OCc1cccnc1Cl 34a_100016041109_100000045678 [0,1,0,0,0,1|2,0,0]=4 4832 B13R1.528 CC(CF)OCc1cccnc1Cl 7a_100016041109_100000045678 [0,1,0,0,0,1|2,0,0]=4 4833 B13R1.528 CC(CF)OCc1cccnc1F 34a_100016041109_100000099810 [0,1,0,0,0,1|2,0,0]=4 4834 B13R1.528 CC(CF)OCc1cccnc1F 7a_100016041109_100000099810 [0,1,0,0,0,1|2,0,0]=4 4835 B13R1.528 CC(CF)OCc1ncccc1Br 34a_100016041109_100025702911 [0,1,0,0,0,1|2,0,0]=4 4836 B13R1.528 CC(CF)OCc1ncccc1Br 7a_100016041109_100025702911 [0,1,0,0,0,1|2,0,0]=4 4837 B13R1.528 CC(CF)OCc1ncccc1Cl 7a_100016041109_100000099807 [0,1,0,0,0,1|2,0,0]=4 4838 B13R1.528 CC(CF)OCc1ncccc1F 34a_100016041109_100000104219 [0,1,0,0,0,1|2,0,0]=4 4839 B13R1.528 CC(CF)OCc1ncccc1F 7a_100016041109_100000104219 [0,1,0,0,0,1|2,0,0]=4 4840 B13R1.528 CC(CF)OCc1ncccc1O 34a_100016041109_200020655725 [0,1,0,0,0,1|2,0,0]=4 4841 B13R1.528 CC(CF)OCc1ncccc1O 7a_100016041109_200020655725 [0,1,0,0,0,1|2,0,0]=4 4842 B13R1.528 CC(CN)OCc1cccnc1Br 34a_100000210904_100010140945 [0,1,0,0,0,1|2,0,0]=4 4843 B13R1.528 CC(CN)OCc1cccnc1Cl 34a_100000210904_100000045678 [0,1,0,0,0,1|2,0,0]=4 4844 B13R1.528 CC(CN)OCc1cccnc1F 34a_100000210904_100000099810 [0,1,0,0,0,1|2,0,0]=4 4845 B13R1.528 CC(CN)OCc1ncccc1Br 34a_100000210904_100025702911 [0,1,0,0,0,1|2,0,0]=4 4846 B13R1.528 CC(CN)OCc1ncccc1F 34a_100000210904_100000104219 [0,1,0,0,0,1|2,0,0]=4 4847 B13R1.528 CC(CN)OCc1ncccc1O 34a_100000210904_200020655725 [0,1,0,0,0,1|2,0,0]=4 4848 B13R1.528 CC(CO)CNc1ncccc1Br 27a_100000744482_100000696092 [0,1,0,0,0,1|2,0,0]=4 4849 B13R1.528 CC(CO)CNc1nccnc1F 27a_100000744482_200010125657 [0,1,0,0,0,1|1,0,0]=3 4850 B13R1.528 CC(CO)NCc1cccnc1Br 2230a_100009818023_100012180447 [0,1,0,0,0,1|2,0,0]=4 4851 B13R1.528 CC(CO)NCc1cccnc1Br 34a_100009818023_100012180447 [0,1,0,0,0,1|2,0,0]=4 4852 B13R1.528 CC(CO)NCc1cccnc1Cl 2230a_100015189234_100012180447 [0,1,0,0,0,1|2,0,0]=4 4853 B13R1.528 CC(CO)NCc1cccnc1Cl 34a_100015189234_100012180447 [0,1,0,0,0,1|2,0,0]=4 4854 B13R1.528 CC(CO)NCc1cccnc1F 34a_100000724633_100012180447 [0,1,0,0,0,1|2,0,0]=4 4855 B13R1.528 CC(CO)NCc1ncccc1Cl 2230a_100015189233_100012180447 [0,1,0,0,0,1|2,0,0]=4 4856 B13R1.528 CC(CO)NCc1ncccc1F 34a_100000690088_100012180447 [0,1,0,0,0,1|2,0,0]=4 4857 B13R1.528 CC(CO)NCc1nccnc1Cl 2230a_100000729963_100012180447 [0,1,0,0,0,1|1,0,0]=3 4858 B13R1.528 CC(CO)OCc1cccnc1Br 34a_100000719692_100012180447 [0,1,0,0,0,1|2,0,0]=4 4859 B13R1.528 CC(CO)OCc1cccnc1Br 7a_100000719692_100012180447 [0,1,0,0,0,1|2,0,0]=4 4860 B13R1.528 CC(CO)OCc1cccnc1Cl 34a_100000748726_100012180447 [0,1,0,0,0,1|2,0,0]=4 4861 B13R1.528 CC(CO)OCc1cccnc1Cl 7a_100000748726_100012180447 [0,1,0,0,0,1|2,0,0]=4 4862 B13R1.528 CC(CO)OCc1cccnc1F 34a_100000079888_100012180447 [0,1,0,0,0,1|2,0,0]=4 4863 B13R1.528 CC(CO)OCc1cccnc1F 7a_100000079888_100012180447 [0,1,0,0,0,1|2,0,0]=4 4864 B13R1.528 CC(CO)OCc1ncccc1Br 34a_100011996772_100012180447 [0,1,0,0,0,1|2,0,0]=4 4865 B13R1.528 CC(CO)OCc1ncccc1Cl 34a_100012002383_100012180447 [0,1,0,0,0,1|2,0,0]=4 4866 B13R1.528 CC(CO)OCc1ncccc1F 34a_100011934865_100012180447 [0,1,0,0,0,1|2,0,0]=4 4867 B13R1.528 CC(CO)OCc1ncccc1N 34a_114873767017_100012180447 [0,1,0,0,0,1|2,0,0]=4 4868 B13R1.528 CC(CO)OCc1nccnc1Cl 34a_100000057004_100012180447 [0,1,0,0,0,1|1,0,0]=3 4869 B13R1.528 CC(CO)SCc1cccnc1Br 62a_100012180447_100010140945 [0,1,0,0,0,1|2,0,0]=4 4870 B13R1.528 CC(CO)SCc1cccnc1Cl 62a_100012180447_100000045678 [0,1,0,0,0,1|2,0,0]=4 4871 B13R1.528 CC(CO)SCc1cccnc1F 62a_100012180447_100000099810 [0,1,0,0,0,1|2,0,0]=4 4872 B13R1.528 CC(CO)SCc1ncccc1Br 62a_100012180447_100025702911 [0,1,0,0,0,1|2,0,0]=4 4873 B13R1.528 CC(CO)SCc1ncccc1Cl 62a_100012180447_100000099807 [0,1,0,0,0,1|2,0,0]=4 4874 B13R1.528 CC(CO)SCc1ncccc1F 62a_100012180447_100000104219 [0,1,0,0,0,1|2,0,0]=4 4875 B13R1.528 CC(CO)SCc1ncccc1O 62a_100012180447_200020655725 [0,1,0,0,0,1|2,0,0]=4 4876 B13R1.528 CCC(=O)CSc1nccnc1C 62a_100000747405_100011999405 [0,1,0,0,0,1|1,0,1]=4 4877 B13R1.528 CCC(=O)CSc1nccnc1C 62a_100011999405_100000747405 [0,1,0,0,0,1|1,0,1]=4 4878 B13R1.528 CCC(=O)NCc1nccnc1C 11a_100020641712_100000210414 [0,1,0,0,0,1|1,0,1]=4 4879 B13R1.528 CCC(=O)NCc1nccnc1C 240690a_100020641712_100000210414 [0,1,0,0,0,1|1,0,1]=4 4880 B13R1.528 CCC(=O)NCc1nccnc1C 527a_100020641712_100000210414 [0,1,0,0,0,1|1,0,1]=4 4881 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,1,0,0,0,1|2,0,0]=4 4882 B13R1.528 CCC(C)CNc1ncccc1Br 27a_100020588543_100000696092 [0,1,0,0,0,1|2,0,0]=4 4883 B13R1.528 CCC(C)CNc1nccnc1C 27a_100020588543_100011999405 [0,1,0,0,0,1|0,0,0]=2 4884 B13R1.528 CCC(C)CNc1nccnc1F 27a_100020588543_200010125657 [0,1,0,0,0,1|1,0,0]=3 4885 B13R1.528 CCC(C)CNc1ncncc1C 27a_100020588543_100011998708 [0,1,0,0,0,1|2,0,0]=4 4886 B13R1.528 CCC(C)CNc1nnccc1C 27a_100020588543_100000089043 [0,1,0,0,0,1|2,0,0]=4 4887 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,1,0,0,0,1|2,0,0]=4 4888 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,1,0,0,0,1|2,0,0]=4 4889 B13R1.528 CCC(C)COc1cccnc1Br 34a_100000744436_100000748023 [0,1,0,0,0,1|2,0,0]=4 4890 B13R1.528 CCC(C)COc1cccnc1Br 7a_100000744436_100000748023 [0,1,0,0,0,1|2,0,0]=4 4891 B13R1.528 CCC(C)COc1cccnc1C 34a_100000745507_100000748023 [0,1,0,0,0,1|1,0,0]=3 4892 B13R1.528 CCC(C)COc1cccnc1C 7a_100000745507_100000748023 [0,1,0,0,0,1|1,0,0]=3 4893 B13R1.528 CCC(C)COc1cccnc1Cl 34a_100000757616_100000748023 [0,1,0,0,0,1|2,0,0]=4 4894 B13R1.528 CCC(C)COc1cccnc1Cl 7a_100000757616_100000748023 [0,1,0,0,0,1|2,0,0]=4 4895 B13R1.528 CCC(C)COc1cccnc1F 34a_100000061740_100000748023 [0,1,0,0,0,1|2,0,0]=4 4896 B13R1.528 CCC(C)COc1cccnc1F 7a_100000061740_100000748023 [0,1,0,0,0,1|2,0,0]=4 4897 B13R1.528 CCC(C)COc1cccnc1I 34a_100000034122_100000748023 [0,1,0,0,0,1|2,0,0]=4 4898 B13R1.528 CCC(C)COc1cccnc1I 7a_100000034122_100000748023 [0,1,0,0,0,1|2,0,0]=4 4899 B13R1.528 CCC(C)COc1cccnc1N 34a_100000211975_100000748023 [0,1,0,0,0,1|2,0,0]=4 4900 B13R1.528 CCC(C)COc1cccnc1N 7a_100000211975_100000748023 [0,1,0,0,0,1|2,0,0]=4 4901 B13R1.528 CCC(C)COc1ncccc1Cl 34a_100011290957_100000748023 [0,1,0,0,0,1|2,0,0]=4 4902 B13R1.528 CCC(C)COc1ncccc1F 34a_100011219419_100000748023 [0,1,0,0,0,1|2,0,0]=4 4903 B13R1.528 CCC(C)COc1ncccc1N 34a_100000746358_100000748023 [0,1,0,0,0,1|2,0,0]=4 4904 B13R1.528 CCC(C)COc1nccnc1C 34a_100000766352_100000748023 [0,1,0,0,0,1|0,0,0]=2 4905 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,1,0,0,0,1|2,0,0]=4 4906 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,1,0,0,0,1|2,0,0]=4 4907 B13R1.528 CCC(C)CSc1cccnc1Br 62a_100000748023_100010202626 [0,1,0,0,0,1|2,0,0]=4 4908 B13R1.528 CCC(C)CSc1cccnc1Br 62a_100010202626_100000748023 [0,1,0,0,0,1|2,0,0]=4 4909 B13R1.528 CCC(C)CSc1cccnc1C 62a_100000748023_100000751574 [0,1,0,0,0,1|1,0,0]=3 4910 B13R1.528 CCC(C)CSc1cccnc1C 62a_100000751574_100000748023 [0,1,0,0,0,1|1,0,0]=3 4911 B13R1.528 CCC(C)CSc1cccnc1Cl 62a_100000036424_100000748023 [0,1,0,0,0,1|2,0,0]=4 4912 B13R1.528 CCC(C)CSc1cccnc1Cl 62a_100000748023_100000036424 [0,1,0,0,0,1|2,0,0]=4 4913 B13R1.528 CCC(C)CSc1cccnc1F 62a_100000748023_100009816115 [0,1,0,0,0,1|2,0,0]=4 4914 B13R1.528 CCC(C)CSc1cccnc1F 62a_100009816115_100000748023 [0,1,0,0,0,1|2,0,0]=4 4915 B13R1.528 CCC(C)CSc1cccnc1N 62a_100000045569_100000748023 [0,1,0,0,0,1|2,0,0]=4 4916 B13R1.528 CCC(C)CSc1cccnc1N 62a_100000748023_100000045569 [0,1,0,0,0,1|2,0,0]=4 4917 B13R1.528 CCC(C)CSc1cccnc1O 62a_100000748023_100000760158 [0,1,0,0,0,1|2,0,0]=4 4918 B13R1.528 CCC(C)CSc1cccnc1O 62a_100000760158_100000748023 [0,1,0,0,0,1|2,0,0]=4 4919 B13R1.528 CCC(C)CSc1cncnc1C 62a_100000748023_100009819671 [0,1,0,0,0,1|2,0,0]=4 4920 B13R1.528 CCC(C)CSc1cncnc1C 62a_100009819671_100000748023 [0,1,0,0,0,1|2,0,0]=4 4921 B13R1.528 CCC(C)CSc1ncc[nH]c1=O 62a_100000748023_100000763361 [0,1,0,0,0,1|1,0,1]=4 4922 B13R1.528 CCC(C)CSc1ncccc1Br 62a_100000696092_100000748023 [0,1,0,0,0,1|2,0,0]=4 4923 B13R1.528 CCC(C)CSc1ncccc1Br 62a_100000748023_100000696092 [0,1,0,0,0,1|2,0,0]=4 4924 B13R1.528 CCC(C)CSc1ncccc1C 62a_100000748023_100000751373 [0,1,0,0,0,1|1,0,0]=3 4925 B13R1.528 CCC(C)CSc1ncccc1C 62a_100000751373_100000748023 [0,1,0,0,0,1|1,0,0]=3 4926 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100000748023_100011356963 [0,1,0,0,0,1|2,0,0]=4 4927 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100011356963_100000748023 [0,1,0,0,0,1|2,0,0]=4 4928 B13R1.528 CCC(C)CSc1ncccc1F 62a_100000685392_100000748023 [0,1,0,0,0,1|2,0,0]=4 4929 B13R1.528 CCC(C)CSc1ncccc1F 62a_100000748023_100000685392 [0,1,0,0,0,1|2,0,0]=4 4930 B13R1.528 CCC(C)CSc1ncccc1N 62a_100000688686_100000748023 [0,1,0,0,0,1|2,0,0]=4 4931 B13R1.528 CCC(C)CSc1ncccc1N 62a_100000748023_100000688686 [0,1,0,0,0,1|2,0,0]=4 4932 B13R1.528 CCC(C)CSc1ncccc1O 62a_100000034122_100000748023 [0,1,0,0,0,1|2,0,0]=4 4933 B13R1.528 CCC(C)CSc1ncccc1O 62a_100000748023_100000034122 [0,1,0,0,0,1|2,0,0]=4 4934 B13R1.528 CCC(C)CSc1nccnc1C 62a_100000748023_100011999405 [0,1,0,0,0,1|0,0,0]=2 4935 B13R1.528 CCC(C)CSc1nccnc1C 62a_100011999405_100000748023 [0,1,0,0,0,1|0,0,0]=2 4936 B13R1.528 CCC(C)CSc1nccnc1Cl 62a_100000748023_100010886584 [0,1,0,0,0,1|1,0,0]=3 4937 B13R1.528 CCC(C)CSc1nccnc1Cl 62a_100010886584_100000748023 [0,1,0,0,0,1|1,0,0]=3 4938 B13R1.528 CCC(C)CSc1nccnc1F 62a_100000748023_200010125657 [0,1,0,0,0,1|1,0,0]=3 4939 B13R1.528 CCC(C)CSc1nccnc1F 62a_200010125657_100000748023 [0,1,0,0,0,1|1,0,0]=3 4940 B13R1.528 CCC(C)CSc1nccnc1N 62a_100000747729_100000748023 [0,1,0,0,0,1|1,0,0]=3 4941 B13R1.528 CCC(C)CSc1nccnc1N 62a_100000748023_100000747729 [0,1,0,0,0,1|1,0,0]=3 4942 B13R1.528 CCC(C)CSc1ncncc1C 62a_100000748023_100011998708 [0,1,0,0,0,1|2,0,0]=4 4943 B13R1.528 CCC(C)CSc1ncncc1C 62a_100011998708_100000748023 [0,1,0,0,0,1|2,0,0]=4 4944 B13R1.528 CCC(C)CSc1nnccc1C 62a_100000748023_100000089043 [0,1,0,0,0,1|2,0,0]=4 4945 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,1,0,0,0,1|2,0,0]=4 4946 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,1,0,0,0,1|2,0,0]=4 4947 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,1,0,0,0,1|2,0,0]=4 4948 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,1,0,0,0,1|2,0,0]=4 4949 B13R1.528 CCC(C)NCc1cccnc1Br 2230a_100000209981_100010140945 [0,1,0,0,0,1|2,0,0]=4 4950 B13R1.528 CCC(C)NCc1cccnc1Br 2230a_100009818023_100000758301 [0,1,0,0,0,1|2,0,0]=4 4951 B13R1.528 CCC(C)NCc1cccnc1Br 34a_100009818023_100011215416 [0,1,0,0,0,1|2,0,0]=4 4952 B13R1.528 CCC(C)NCc1cccnc1C 207a_100000209981_100000751968 [0,1,0,0,0,1|1,0,0]=3 4953 B13R1.528 CCC(C)NCc1cccnc1C 2230a_100000209981_100000732876 [0,1,0,0,0,1|1,0,0]=3 4954 B13R1.528 CCC(C)NCc1cccnc1C 270004a_100000209981_100000751968 [0,1,0,0,0,1|1,0,0]=3 4955 B13R1.528 CCC(C)NCc1cccnc1Cl 2230a_100000209981_100000045678 [0,1,0,0,0,1|2,0,0]=4 4956 B13R1.528 CCC(C)NCc1cccnc1Cl 2230a_100015189234_100000758301 [0,1,0,0,0,1|2,0,0]=4 4957 B13R1.528 CCC(C)NCc1cccnc1Cl 34a_100015189234_100011215416 [0,1,0,0,0,1|2,0,0]=4 4958 B13R1.528 CCC(C)NCc1cccnc1F 2230a_100000209981_100000099810 [0,1,0,0,0,1|2,0,0]=4 4959 B13R1.528 CCC(C)NCc1cccnc1F 34a_100000724633_100011215416 [0,1,0,0,0,1|2,0,0]=4 4960 B13R1.528 CCC(C)NCc1cccnc1O 207a_100000209981_100011998315 [0,1,0,0,0,1|2,0,0]=4 4961 B13R1.528 CCC(C)NCc1cccnc1O 270004a_100000209981_100011998315 [0,1,0,0,0,1|2,0,0]=4 4962 B13R1.528 CCC(C)NCc1ncccc1Br 207a_100000209981_100011934733 [0,1,0,0,0,1|2,0,0]=4 4963 B13R1.528 CCC(C)NCc1ncccc1Br 2230a_100000209981_100025702911 [0,1,0,0,0,1|2,0,0]=4 4964 B13R1.528 CCC(C)NCc1ncccc1Br 270004a_100000209981_100011934733 [0,1,0,0,0,1|2,0,0]=4 4965 B13R1.528 CCC(C)NCc1ncccc1C 207a_100000209981_100000698913 [0,1,0,0,0,1|1,0,0]=3 4966 B13R1.528 CCC(C)NCc1ncccc1C 2230a_100000209981_100000696600 [0,1,0,0,0,1|1,0,0]=3 4967 B13R1.528 CCC(C)NCc1ncccc1C 270004a_100000209981_100000698913 [0,1,0,0,0,1|1,0,0]=3 4968 B13R1.528 CCC(C)NCc1ncccc1C 34a_100011223789_100011215416 [0,1,0,0,0,1|1,0,0]=3 4969 B13R1.528 CCC(C)NCc1ncccc1Cl 207a_100000209981_100012001307 [0,1,0,0,0,1|2,0,0]=4 4970 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100000209981_100000099807 [0,1,0,0,0,1|2,0,0]=4 4971 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100015189233_100000758301 [0,1,0,0,0,1|2,0,0]=4 4972 B13R1.528 CCC(C)NCc1ncccc1Cl 270004a_100000209981_100012001307 [0,1,0,0,0,1|2,0,0]=4 4973 B13R1.528 CCC(C)NCc1ncccc1F 207a_100000209981_100011934734 [0,1,0,0,0,1|2,0,0]=4 4974 B13R1.528 CCC(C)NCc1ncccc1F 2230a_100000209981_100000104219 [0,1,0,0,0,1|2,0,0]=4 4975 B13R1.528 CCC(C)NCc1ncccc1F 270004a_100000209981_100011934734 [0,1,0,0,0,1|2,0,0]=4 4976 B13R1.528 CCC(C)NCc1ncccc1F 34a_100000690088_100011215416 [0,1,0,0,0,1|2,0,0]=4 4977 B13R1.528 CCC(C)NCc1nccnc1C 2230a_100020641712_100000758301 [0,1,0,0,0,1|0,0,0]=2 4978 B13R1.528 CCC(C)NCc1nccnc1C 270004a_100000209981_100000050726 [0,1,0,0,0,1|0,0,0]=2 4979 B13R1.528 CCC(C)NCc1nccnc1C 34a_100020641712_100011215416 [0,1,0,0,0,1|0,0,0]=2 4980 B13R1.528 CCC(C)NCc1nccnc1Cl 2230a_100000729963_100000758301 [0,1,0,0,0,1|1,0,0]=3 4981 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,1,0,0,0,1|2,0,0]=4 4982 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,1,0,0,0,1|2,0,0]=4 4983 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,1,0,0,0,1|2,0,0]=4 4984 B13R1.528 CCC(C)OCc1cccnc1Br 34a_100000719692_100011215416 [0,1,0,0,0,1|2,0,0]=4 4985 B13R1.528 CCC(C)OCc1cccnc1Br 7a_100000210228_100010140945 [0,1,0,0,0,1|2,0,0]=4 4986 B13R1.528 CCC(C)OCc1cccnc1Br 7a_100000719692_100000758301 [0,1,0,0,0,1|2,0,0]=4 4987 B13R1.528 CCC(C)OCc1cccnc1C 34a_100000729262_100011215416 [0,1,0,0,0,1|1,0,0]=3 4988 B13R1.528 CCC(C)OCc1cccnc1C 7a_100000210228_100000732876 [0,1,0,0,0,1|1,0,0]=3 4989 B13R1.528 CCC(C)OCc1cccnc1C 7a_100000729262_100000758301 [0,1,0,0,0,1|1,0,0]=3 4990 B13R1.528 CCC(C)OCc1cccnc1Cl 34a_100000748726_100011215416 [0,1,0,0,0,1|2,0,0]=4 4991 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000210228_100000045678 [0,1,0,0,0,1|2,0,0]=4 4992 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000748726_100000758301 [0,1,0,0,0,1|2,0,0]=4 4993 B13R1.528 CCC(C)OCc1cccnc1F 34a_100000079888_100011215416 [0,1,0,0,0,1|2,0,0]=4 4994 B13R1.528 CCC(C)OCc1cccnc1F 7a_100000079888_100000758301 [0,1,0,0,0,1|2,0,0]=4 4995 B13R1.528 CCC(C)OCc1cccnc1F 7a_100000210228_100000099810 [0,1,0,0,0,1|2,0,0]=4 4996 B13R1.528 CCC(C)OCc1ncccc1Br 34a_100011996772_100011215416 [0,1,0,0,0,1|2,0,0]=4 4997 B13R1.528 CCC(C)OCc1ncccc1Br 7a_100000210228_100025702911 [0,1,0,0,0,1|2,0,0]=4 4998 B13R1.528 CCC(C)OCc1ncccc1C 34a_100000698912_100011215416 [0,1,0,0,0,1|1,0,0]=3 4999 B13R1.528 CCC(C)OCc1ncccc1C 7a_100000210228_100000696600 [0,1,0,0,0,1|1,0,0]=3 5000 B13R1.528 CCC(C)OCc1ncccc1Cl 34a_100012002383_100011215416 [0,1,0,0,0,1|2,0,0]=4 5001 B13R1.528 CCC(C)OCc1ncccc1Cl 7a_100000210228_100000099807 [0,1,0,0,0,1|2,0,0]=4 5002 B13R1.528 CCC(C)OCc1ncccc1F 34a_100011934865_100011215416 [0,1,0,0,0,1|2,0,0]=4 5003 B13R1.528 CCC(C)OCc1ncccc1F 7a_100000210228_100000104219 [0,1,0,0,0,1|2,0,0]=4 5004 B13R1.528 CCC(C)OCc1ncccc1N 34a_114873767017_100011215416 [0,1,0,0,0,1|2,0,0]=4 5005 B13R1.528 CCC(C)OCc1ncccc1O 7a_100000210228_200020655725 [0,1,0,0,0,1|2,0,0]=4 5006 B13R1.528 CCC(C)OCc1nccnc1Cl 34a_100000057004_100011215416 [0,1,0,0,0,1|1,0,0]=3 5007 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,1,0,0,0,1|2,0,0]=4 5008 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,1,0,0,0,1|2,0,0]=4 5009 B13R1.528 CCC(C)SCc1cccnc1Br 62a_100000758301_100010140945 [0,1,0,0,0,1|2,0,0]=4 5010 B13R1.528 CCC(C)SCc1cccnc1Br 62a_100010140945_100000758301 [0,1,0,0,0,1|2,0,0]=4 5011 B13R1.528 CCC(C)SCc1cccnc1C 62a_100000732876_100000758301 [0,1,0,0,0,1|1,0,0]=3 5012 B13R1.528 CCC(C)SCc1cccnc1C 62a_100000758301_100000732876 [0,1,0,0,0,1|1,0,0]=3 5013 B13R1.528 CCC(C)SCc1cccnc1Cl 62a_100000045678_100000758301 [0,1,0,0,0,1|2,0,0]=4 5014 B13R1.528 CCC(C)SCc1cccnc1Cl 62a_100000758301_100000045678 [0,1,0,0,0,1|2,0,0]=4 5015 B13R1.528 CCC(C)SCc1cccnc1F 62a_100000099810_100000758301 [0,1,0,0,0,1|2,0,0]=4 5016 B13R1.528 CCC(C)SCc1cccnc1F 62a_100000758301_100000099810 [0,1,0,0,0,1|2,0,0]=4 5017 B13R1.528 CCC(C)SCc1ncccc1Br 62a_100000758301_100025702911 [0,1,0,0,0,1|2,0,0]=4 5018 B13R1.528 CCC(C)SCc1ncccc1Br 62a_100025702911_100000758301 [0,1,0,0,0,1|2,0,0]=4 5019 B13R1.528 CCC(C)SCc1ncccc1C 62a_100000696600_100000758301 [0,1,0,0,0,1|1,0,0]=3 5020 B13R1.528 CCC(C)SCc1ncccc1C 62a_100000758301_100000696600 [0,1,0,0,0,1|1,0,0]=3 5021 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000099807_100000758301 [0,1,0,0,0,1|2,0,0]=4 5022 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000758301_100000099807 [0,1,0,0,0,1|2,0,0]=4 5023 B13R1.528 CCC(C)SCc1ncccc1F 62a_100000104219_100000758301 [0,1,0,0,0,1|2,0,0]=4 5024 B13R1.528 CCC(C)SCc1ncccc1F 62a_100000758301_100000104219 [0,1,0,0,0,1|2,0,0]=4 5025 B13R1.528 CCC(C)SCc1ncccc1O 62a_100000758301_200020655725 [0,1,0,0,0,1|2,0,0]=4 5026 B13R1.528 CCC(C)SCc1ncccc1O 62a_200020655725_100000758301 [0,1,0,0,0,1|2,0,0]=4 5027 B13R1.528 CCC(O)CNc1nccnc1C 27a_100011218483_100011999405 [0,1,0,0,0,1|1,0,0]=3 5028 B13R1.528 CCC(O)CNc1nccnc1F 27a_100011218483_200010125657 [0,1,0,0,0,1|2,0,0]=4 5029 B13R1.528 CCC(O)COc1cccnc1C 34a_100000745507_100011218378 [0,1,0,0,0,1|2,0,0]=4 5030 B13R1.528 CCC(O)COc1cccnc1C 7a_100000745507_100011218378 [0,1,0,0,0,1|2,0,0]=4 5031 B13R1.528 CCC(O)COc1nccnc1C 34a_100000766352_100011218378 [0,1,0,0,0,1|1,0,0]=3 5032 B13R1.528 CCC(O)CSc1cccnc1C 62a_100000751574_100011218378 [0,1,0,0,0,1|2,0,0]=4 5033 B13R1.528 CCC(O)CSc1cccnc1C 62a_100011218378_100000751574 [0,1,0,0,0,1|2,0,0]=4 5034 B13R1.528 CCC(O)CSc1ncccc1C 62a_100000751373_100011218378 [0,1,0,0,0,1|2,0,0]=4 5035 B13R1.528 CCC(O)CSc1ncccc1C 62a_100011218378_100000751373 [0,1,0,0,0,1|2,0,0]=4 5036 B13R1.528 CCC(O)CSc1nccnc1C 62a_100011218378_100011999405 [0,1,0,0,0,1|1,0,0]=3 5037 B13R1.528 CCC(O)CSc1nccnc1C 62a_100011999405_100011218378 [0,1,0,0,0,1|1,0,0]=3 5038 B13R1.528 CCC(O)CSc1nccnc1Cl 62a_100010886584_100011218378 [0,1,0,0,0,1|2,0,0]=4 5039 B13R1.528 CCC(O)CSc1nccnc1Cl 62a_100011218378_100010886584 [0,1,0,0,0,1|2,0,0]=4 5040 B13R1.528 CCC(O)CSc1nccnc1F 62a_100011218378_200010125657 [0,1,0,0,0,1|2,0,0]=4 5041 B13R1.528 CCC(O)CSc1nccnc1F 62a_200010125657_100011218378 [0,1,0,0,0,1|2,0,0]=4 5042 B13R1.528 CCC(O)CSc1nccnc1N 62a_100000747729_100011218378 [0,1,0,0,0,1|2,0,0]=4 5043 B13R1.528 CCC(O)CSc1nccnc1N 62a_100011218378_100000747729 [0,1,0,0,0,1|2,0,0]=4 5044 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,1,0,0,0,1|2,0,0]=4 5045 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,1,0,0,0,1|2,0,0]=4 5046 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,1,0,0,0,1|2,0,0]=4 5047 B13R1.528 CC[C@H](C)COc1cccnc1Br 34a_100000744436_100009816398 [0,1,0,0,0,1|2,0,0]=4 5048 B13R1.528 CC[C@H](C)COc1cccnc1Br 7a_100000744436_100009816398 [0,1,0,0,0,1|2,0,0]=4 5049 B13R1.528 CC[C@H](C)COc1cccnc1C 34a_100000745507_100009816398 [0,1,0,0,0,1|1,0,0]=3 5050 B13R1.528 CC[C@H](C)COc1cccnc1C 7a_100000745507_100009816398 [0,1,0,0,0,1|1,0,0]=3 5051 B13R1.528 CC[C@H](C)COc1cccnc1Cl 34a_100000757616_100009816398 [0,1,0,0,0,1|2,0,0]=4 5052 B13R1.528 CC[C@H](C)COc1cccnc1Cl 7a_100000757616_100009816398 [0,1,0,0,0,1|2,0,0]=4 5053 B13R1.528 CC[C@H](C)COc1cccnc1F 34a_100000061740_100009816398 [0,1,0,0,0,1|2,0,0]=4 5054 B13R1.528 CC[C@H](C)COc1cccnc1F 7a_100000061740_100009816398 [0,1,0,0,0,1|2,0,0]=4 5055 B13R1.528 CC[C@H](C)COc1cccnc1I 34a_100000034122_100009816398 [0,1,0,0,0,1|2,0,0]=4 5056 B13R1.528 CC[C@H](C)COc1cccnc1I 7a_100000034122_100009816398 [0,1,0,0,0,1|2,0,0]=4 5057 B13R1.528 CC[C@H](C)COc1cccnc1N 34a_100000211975_100009816398 [0,1,0,0,0,1|2,0,0]=4 5058 B13R1.528 CC[C@H](C)COc1cccnc1N 7a_100000211975_100009816398 [0,1,0,0,0,1|2,0,0]=4 5059 B13R1.528 CC[C@H](C)COc1ncccc1Cl 34a_100011290957_100009816398 [0,1,0,0,0,1|2,0,0]=4 5060 B13R1.528 CC[C@H](C)COc1ncccc1F 34a_100011219419_100009816398 [0,1,0,0,0,1|2,0,0]=4 5061 B13R1.528 CC[C@H](C)COc1ncccc1N 34a_100000746358_100009816398 [0,1,0,0,0,1|2,0,0]=4 5062 B13R1.528 CC[C@H](C)COc1nccnc1C 34a_100000766352_100009816398 [0,1,0,0,0,1|0,0,0]=2 5063 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,1,0,0,0,1|2,0,0]=4 5064 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,1,0,0,0,1|2,0,0]=4 5065 B13R1.528 CC[C@H](C)CSc1cccnc1Br 62a_100009816398_100010202626 [0,1,0,0,0,1|2,0,0]=4 5066 B13R1.528 CC[C@H](C)CSc1cccnc1Br 62a_100010202626_100009816398 [0,1,0,0,0,1|2,0,0]=4 5067 B13R1.528 CC[C@H](C)CSc1cccnc1C 62a_100000751574_100009816398 [0,1,0,0,0,1|1,0,0]=3 5068 B13R1.528 CC[C@H](C)CSc1cccnc1C 62a_100009816398_100000751574 [0,1,0,0,0,1|1,0,0]=3 5069 B13R1.528 CC[C@H](C)CSc1cccnc1Cl 62a_100000036424_100009816398 [0,1,0,0,0,1|2,0,0]=4 5070 B13R1.528 CC[C@H](C)CSc1cccnc1Cl 62a_100009816398_100000036424 [0,1,0,0,0,1|2,0,0]=4 5071 B13R1.528 CC[C@H](C)CSc1cccnc1F 62a_100009816115_100009816398 [0,1,0,0,0,1|2,0,0]=4 5072 B13R1.528 CC[C@H](C)CSc1cccnc1F 62a_100009816398_100009816115 [0,1,0,0,0,1|2,0,0]=4 5073 B13R1.528 CC[C@H](C)CSc1cccnc1N 62a_100000045569_100009816398 [0,1,0,0,0,1|2,0,0]=4 5074 B13R1.528 CC[C@H](C)CSc1cccnc1N 62a_100009816398_100000045569 [0,1,0,0,0,1|2,0,0]=4 5075 B13R1.528 CC[C@H](C)CSc1cccnc1O 62a_100000760158_100009816398 [0,1,0,0,0,1|2,0,0]=4 5076 B13R1.528 CC[C@H](C)CSc1cccnc1O 62a_100009816398_100000760158 [0,1,0,0,0,1|2,0,0]=4 5077 B13R1.528 CC[C@H](C)CSc1cncnc1C 62a_100009816398_100009819671 [0,1,0,0,0,1|2,0,0]=4 5078 B13R1.528 CC[C@H](C)CSc1cncnc1C 62a_100009819671_100009816398 [0,1,0,0,0,1|2,0,0]=4 5079 B13R1.528 CC[C@H](C)CSc1ncc[nH]c1=O 62a_100009816398_100000763361 [0,1,0,0,0,1|1,0,1]=4 5080 B13R1.528 CC[C@H](C)CSc1ncccc1Br 62a_100000696092_100009816398 [0,1,0,0,0,1|2,0,0]=4 5081 B13R1.528 CC[C@H](C)CSc1ncccc1Br 62a_100009816398_100000696092 [0,1,0,0,0,1|2,0,0]=4 5082 B13R1.528 CC[C@H](C)CSc1ncccc1C 62a_100000751373_100009816398 [0,1,0,0,0,1|1,0,0]=3 5083 B13R1.528 CC[C@H](C)CSc1ncccc1C 62a_100009816398_100000751373 [0,1,0,0,0,1|1,0,0]=3 5084 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100009816398_100011356963 [0,1,0,0,0,1|2,0,0]=4 5085 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100011356963_100009816398 [0,1,0,0,0,1|2,0,0]=4 5086 B13R1.528 CC[C@H](C)CSc1ncccc1F 62a_100000685392_100009816398 [0,1,0,0,0,1|2,0,0]=4 5087 B13R1.528 CC[C@H](C)CSc1ncccc1F 62a_100009816398_100000685392 [0,1,0,0,0,1|2,0,0]=4 5088 B13R1.528 CC[C@H](C)CSc1ncccc1N 62a_100000688686_100009816398 [0,1,0,0,0,1|2,0,0]=4 5089 B13R1.528 CC[C@H](C)CSc1ncccc1N 62a_100009816398_100000688686 [0,1,0,0,0,1|2,0,0]=4 5090 B13R1.528 CC[C@H](C)CSc1ncccc1O 62a_100000034122_100009816398 [0,1,0,0,0,1|2,0,0]=4 5091 B13R1.528 CC[C@H](C)CSc1ncccc1O 62a_100009816398_100000034122 [0,1,0,0,0,1|2,0,0]=4 5092 B13R1.528 CC[C@H](C)CSc1nccnc1C 62a_100009816398_100011999405 [0,1,0,0,0,1|0,0,0]=2 5093 B13R1.528 CC[C@H](C)CSc1nccnc1C 62a_100011999405_100009816398 [0,1,0,0,0,1|0,0,0]=2 5094 B13R1.528 CC[C@H](C)CSc1nccnc1Cl 62a_100009816398_100010886584 [0,1,0,0,0,1|1,0,0]=3 5095 B13R1.528 CC[C@H](C)CSc1nccnc1Cl 62a_100010886584_100009816398 [0,1,0,0,0,1|1,0,0]=3 5096 B13R1.528 CC[C@H](C)CSc1nccnc1F 62a_100009816398_200010125657 [0,1,0,0,0,1|1,0,0]=3 5097 B13R1.528 CC[C@H](C)CSc1nccnc1F 62a_200010125657_100009816398 [0,1,0,0,0,1|1,0,0]=3 5098 B13R1.528 CC[C@H](C)CSc1nccnc1N 62a_100000747729_100009816398 [0,1,0,0,0,1|1,0,0]=3 5099 B13R1.528 CC[C@H](C)CSc1nccnc1N 62a_100009816398_100000747729 [0,1,0,0,0,1|1,0,0]=3 5100 B13R1.528 CC[C@H](C)CSc1ncncc1C 62a_100009816398_100011998708 [0,1,0,0,0,1|2,0,0]=4 5101 B13R1.528 CC[C@H](C)CSc1ncncc1C 62a_100011998708_100009816398 [0,1,0,0,0,1|2,0,0]=4 5102 B13R1.528 CC[C@H](C)CSc1nnccc1C 62a_100009816398_100000089043 [0,1,0,0,0,1|2,0,0]=4 5103 B13R1.528 CNC(=O)CNc1nccnc1C 27a_100000693194_100011999405 [0,1,0,0,0,1|1,0,1]=4 5104 B13R1.528 CNC(=O)COc1nccnc1C 34a_100000766352_100000183359 [0,1,0,0,0,1|1,0,1]=4 5105 B13R1.528 CNC(=O)CSc1nccnc1C 62a_100000183359_100011999405 [0,1,0,0,0,1|1,0,1]=4 5106 B13R1.528 CNC(=O)CSc1nccnc1C 62a_100011999405_100000183359 [0,1,0,0,0,1|1,0,1]=4 5107 B13R1.528 CNC(=O)NCc1nccnc1C 2708a_100020641712_106832991635 [0,1,0,0,0,1|1,0,1]=4 5108 B13R1.528 CNC(=O)NCc1nccnc1C 2708a_100102657272_100020641712 [0,1,0,0,0,1|1,0,1]=4 5109 B13R1.528 CNC(=O)NCc1nccnc1C 273464a_100020641712_100102657272 [0,1,0,0,0,1|1,0,1]=4 5110 B13R1.528 CNC(=O)NCc1nccnc1C 273464a_100102657272_100020641712 [0,1,0,0,0,1|1,0,1]=4 5111 B13R1.528 CNC(=O)NCc1nccnc1C 512a_100020641712_100102657272 [0,1,0,0,0,1|1,0,1]=4 5112 B13R1.528 CNC(=O)NCc1nccnc1C 512a_106832991638_100020641712 [0,1,0,0,0,1|1,0,1]=4 5113 B13R1.528 CNC(C)COc1ccccc1C 2230a_100000744241_200000210301 [0,1,0,0,0,1|2,0,0]=4 5114 B13R1.528 CNC(C)COc1ccccc1C 34a_100000744241_200000210301 [0,1,0,0,0,1|2,0,0]=4 5115 B13R1.528 COC(=O)COc1nccnc1C 34a_100000766352_100000747449 [0,1,0,0,0,1|1,0,1]=4 5116 B13R1.528 COC(=O)CSc1nccnc1C 62a_100000747449_100011999405 [0,1,0,0,0,1|1,0,1]=4 5117 B13R1.528 COC(=O)CSc1nccnc1C 62a_100011999405_100000747449 [0,1,0,0,0,1|1,0,1]=4 5118 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,1,0,0,0,1|2,0,0]=4 5119 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,1,0,0,0,1|2,0,0]=4 5120 B13R1.528 COC(C)SCc1ccccc1C 62a_100000211839_100009879195 [0,1,0,0,0,1|2,0,0]=4 5121 B13R1.528 COC(C)SCc1ccccc1C 62a_100009879195_100000211839 [0,1,0,0,0,1|2,0,0]=4 5122 B13R1.528 COC(C)SCc1cccnc1Br 62a_100009879195_100010140945 [0,1,0,0,0,1|2,0,0]=4 5123 B13R1.528 COC(C)SCc1cccnc1Br 62a_100010140945_100009879195 [0,1,0,0,0,1|2,0,0]=4 5124 B13R1.528 COC(C)SCc1cccnc1C 62a_100000732876_100009879195 [0,1,0,0,0,1|1,0,0]=3 5125 B13R1.528 COC(C)SCc1cccnc1C 62a_100009879195_100000732876 [0,1,0,0,0,1|1,0,0]=3 5126 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100000045678_100009879195 [0,1,0,0,0,1|2,0,0]=4 5127 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100009879195_100000045678 [0,1,0,0,0,1|2,0,0]=4 5128 B13R1.528 COC(C)SCc1cccnc1F 62a_100000099810_100009879195 [0,1,0,0,0,1|2,0,0]=4 5129 B13R1.528 COC(C)SCc1cccnc1F 62a_100009879195_100000099810 [0,1,0,0,0,1|2,0,0]=4 5130 B13R1.528 COC(C)SCc1ncccc1Br 62a_100009879195_100025702911 [0,1,0,0,0,1|2,0,0]=4 5131 B13R1.528 COC(C)SCc1ncccc1Br 62a_100025702911_100009879195 [0,1,0,0,0,1|2,0,0]=4 5132 B13R1.528 COC(C)SCc1ncccc1C 62a_100000696600_100009879195 [0,1,0,0,0,1|1,0,0]=3 5133 B13R1.528 COC(C)SCc1ncccc1C 62a_100009879195_100000696600 [0,1,0,0,0,1|1,0,0]=3 5134 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100000099807_100009879195 [0,1,0,0,0,1|2,0,0]=4 5135 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100009879195_100000099807 [0,1,0,0,0,1|2,0,0]=4 5136 B13R1.528 COC(C)SCc1ncccc1F 62a_100000104219_100009879195 [0,1,0,0,0,1|2,0,0]=4 5137 B13R1.528 COC(C)SCc1ncccc1F 62a_100009879195_100000104219 [0,1,0,0,0,1|2,0,0]=4 5138 B13R1.528 COC(C)SCc1ncccc1O 62a_100009879195_200020655725 [0,1,0,0,0,1|2,0,0]=4 5139 B13R1.528 COC(C)SCc1ncccc1O 62a_200020655725_100009879195 [0,1,0,0,0,1|2,0,0]=4 5140 B13R1.528 CO[C@H](C)CNc1ncccc1Br 27a_100020591295_100000696092 [0,1,0,0,0,1|2,0,0]=4 5141 B13R1.528 CO[C@H](C)CNc1nccnc1C 27a_100020591295_100011999405 [0,1,0,0,0,1|0,0,0]=2 5142 B13R1.528 CO[C@H](C)CNc1nccnc1F 27a_100020591295_200010125657 [0,1,0,0,0,1|1,0,0]=3 5143 B13R1.528 CO[C@H](C)CNc1ncncc1C 27a_100020591295_100011998708 [0,1,0,0,0,1|2,0,0]=4 5144 B13R1.528 CO[C@H](C)CNc1nnccc1C 27a_100020591295_100000089043 [0,1,0,0,0,1|2,0,0]=4 5145 B13R1.528 C[C@@H](CO)COc1cccnc1Br 34a_100000744436_100000059175 [0,1,0,0,0,1|2,0,0]=4 5146 B13R1.528 C[C@@H](CO)COc1cccnc1Br 7a_100000744436_100000059175 [0,1,0,0,0,1|2,0,0]=4 5147 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 34a_100000757616_100000059175 [0,1,0,0,0,1|2,0,0]=4 5148 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 7a_100000757616_100000059175 [0,1,0,0,0,1|2,0,0]=4 5149 B13R1.528 C[C@@H](CO)COc1cccnc1F 34a_100000061740_100000059175 [0,1,0,0,0,1|2,0,0]=4 5150 B13R1.528 C[C@@H](CO)COc1cccnc1F 7a_100000061740_100000059175 [0,1,0,0,0,1|2,0,0]=4 5151 B13R1.528 C[C@@H](CO)COc1cccnc1I 34a_100000034122_100000059175 [0,1,0,0,0,1|2,0,0]=4 5152 B13R1.528 C[C@@H](CO)COc1cccnc1I 7a_100000034122_100000059175 [0,1,0,0,0,1|2,0,0]=4 5153 B13R1.528 C[C@@H](CO)COc1cccnc1N 34a_100000211975_100000059175 [0,1,0,0,0,1|2,0,0]=4 5154 B13R1.528 C[C@@H](CO)COc1cccnc1N 7a_100000211975_100000059175 [0,1,0,0,0,1|2,0,0]=4 5155 B13R1.528 C[C@@H](CO)COc1ncccc1Cl 34a_100011290957_100000059175 [0,1,0,0,0,1|2,0,0]=4 5156 B13R1.528 C[C@@H](CO)COc1ncccc1F 34a_100011219419_100000059175 [0,1,0,0,0,1|2,0,0]=4 5157 B13R1.528 C[C@@H](CO)COc1ncccc1N 34a_100000746358_100000059175 [0,1,0,0,0,1|2,0,0]=4 5158 B13R1.528 C[C@@H](CO)CSc1cccnc1Br 62a_100000059175_100010202626 [0,1,0,0,0,1|2,0,0]=4 5159 B13R1.528 C[C@@H](CO)CSc1cccnc1Br 62a_100010202626_100000059175 [0,1,0,0,0,1|2,0,0]=4 5160 B13R1.528 C[C@@H](CO)CSc1cccnc1Cl 62a_100000036424_100000059175 [0,1,0,0,0,1|2,0,0]=4 5161 B13R1.528 C[C@@H](CO)CSc1cccnc1Cl 62a_100000059175_100000036424 [0,1,0,0,0,1|2,0,0]=4 5162 B13R1.528 C[C@@H](CO)CSc1cccnc1F 62a_100000059175_100009816115 [0,1,0,0,0,1|2,0,0]=4 5163 B13R1.528 C[C@@H](CO)CSc1cccnc1F 62a_100009816115_100000059175 [0,1,0,0,0,1|2,0,0]=4 5164 B13R1.528 C[C@@H](CO)CSc1cccnc1N 62a_100000045569_100000059175 [0,1,0,0,0,1|2,0,0]=4 5165 B13R1.528 C[C@@H](CO)CSc1cccnc1N 62a_100000059175_100000045569 [0,1,0,0,0,1|2,0,0]=4 5166 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000059175_100000760158 [0,1,0,0,0,1|2,0,0]=4 5167 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000760158_100000059175 [0,1,0,0,0,1|2,0,0]=4 5168 B13R1.528 C[C@@H](CO)CSc1ncc[nH]c1=O 62a_100000059175_100000763361 [0,1,0,0,0,1|1,0,1]=4 5169 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000059175_100000696092 [0,1,0,0,0,1|2,0,0]=4 5170 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000696092_100000059175 [0,1,0,0,0,1|2,0,0]=4 5171 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100000059175_100011356963 [0,1,0,0,0,1|2,0,0]=4 5172 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100011356963_100000059175 [0,1,0,0,0,1|2,0,0]=4 5173 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000059175_100000685392 [0,1,0,0,0,1|2,0,0]=4 5174 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000685392_100000059175 [0,1,0,0,0,1|2,0,0]=4 5175 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000059175_100000688686 [0,1,0,0,0,1|2,0,0]=4 5176 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000688686_100000059175 [0,1,0,0,0,1|2,0,0]=4 5177 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000034122_100000059175 [0,1,0,0,0,1|2,0,0]=4 5178 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000059175_100000034122 [0,1,0,0,0,1|2,0,0]=4 5179 B13R1.528 C[C@@H](CO)CSc1nccnc1Cl 62a_100000059175_100010886584 [0,1,0,0,0,1|1,0,0]=3 5180 B13R1.528 C[C@@H](CO)CSc1nccnc1Cl 62a_100010886584_100000059175 [0,1,0,0,0,1|1,0,0]=3 5181 B13R1.528 C[C@@H](CO)CSc1nccnc1F 62a_100000059175_200010125657 [0,1,0,0,0,1|1,0,0]=3 5182 B13R1.528 C[C@@H](CO)CSc1nccnc1F 62a_200010125657_100000059175 [0,1,0,0,0,1|1,0,0]=3 5183 B13R1.528 C[C@@H](CO)CSc1nccnc1N 62a_100000059175_100000747729 [0,1,0,0,0,1|1,0,0]=3 5184 B13R1.528 C[C@@H](CO)CSc1nccnc1N 62a_100000747729_100000059175 [0,1,0,0,0,1|1,0,0]=3 5185 B13R1.528 C[C@H](CF)NCc1cccnc1O 207a_100102880703_100011998315 [0,1,0,0,0,1|2,0,0]=4 5186 B13R1.528 C[C@H](CF)NCc1cccnc1O 270004a_100102880703_100011998315 [0,1,0,0,0,1|2,0,0]=4 5187 B13R1.528 C[C@H](CF)NCc1ncccc1Br 207a_100102880703_100011934733 [0,1,0,0,0,1|2,0,0]=4 5188 B13R1.528 C[C@H](CF)NCc1ncccc1Br 270004a_100102880703_100011934733 [0,1,0,0,0,1|2,0,0]=4 5189 B13R1.528 C[C@H](CF)NCc1ncccc1Cl 207a_100102880703_100012001307 [0,1,0,0,0,1|2,0,0]=4 5190 B13R1.528 C[C@H](CF)NCc1ncccc1Cl 270004a_100102880703_100012001307 [0,1,0,0,0,1|2,0,0]=4 5191 B13R1.528 C[C@H](CF)NCc1ncccc1F 207a_100102880703_100011934734 [0,1,0,0,0,1|2,0,0]=4 5192 B13R1.528 C[C@H](CF)NCc1ncccc1F 270004a_100102880703_100011934734 [0,1,0,0,0,1|2,0,0]=4 5193 B13R1.528 C[C@H](CO)NCc1cccnc1Br 2230a_100000737577_100010140945 [0,1,0,0,0,1|2,0,0]=4 5194 B13R1.528 C[C@H](CO)NCc1cccnc1Cl 2230a_100000737577_100000045678 [0,1,0,0,0,1|2,0,0]=4 5195 B13R1.528 C[C@H](CO)NCc1cccnc1F 2230a_100000737577_100000099810 [0,1,0,0,0,1|2,0,0]=4 5196 B13R1.528 C[C@H](CO)NCc1cccnc1O 207a_100000737577_100011998315 [0,1,0,0,0,1|2,0,0]=4 5197 B13R1.528 C[C@H](CO)NCc1cccnc1O 270004a_100000737577_100011998315 [0,1,0,0,0,1|2,0,0]=4 5198 B13R1.528 C[C@H](CO)NCc1ncccc1Br 207a_100000737577_100011934733 [0,1,0,0,0,1|2,0,0]=4 5199 B13R1.528 C[C@H](CO)NCc1ncccc1Br 2230a_100000737577_100025702911 [0,1,0,0,0,1|2,0,0]=4 5200 B13R1.528 C[C@H](CO)NCc1ncccc1Br 270004a_100000737577_100011934733 [0,1,0,0,0,1|2,0,0]=4 5201 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 207a_100000737577_100012001307 [0,1,0,0,0,1|2,0,0]=4 5202 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 2230a_100000737577_100000099807 [0,1,0,0,0,1|2,0,0]=4 5203 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 270004a_100000737577_100012001307 [0,1,0,0,0,1|2,0,0]=4 5204 B13R1.528 C[C@H](CO)NCc1ncccc1F 207a_100000737577_100011934734 [0,1,0,0,0,1|2,0,0]=4 5205 B13R1.528 C[C@H](CO)NCc1ncccc1F 2230a_100000737577_100000104219 [0,1,0,0,0,1|2,0,0]=4 5206 B13R1.528 C[C@H](CO)NCc1ncccc1F 270004a_100000737577_100011934734 [0,1,0,0,0,1|2,0,0]=4 5207 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100010140945_100016084084 [0,1,0,0,0,1|2,0,0]=4 5208 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100016084084_100010140945 [0,1,0,0,0,1|2,0,0]=4 5209 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100000045678_100016084084 [0,1,0,0,0,1|2,0,0]=4 5210 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100016084084_100000045678 [0,1,0,0,0,1|2,0,0]=4 5211 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100000099810_100016084084 [0,1,0,0,0,1|2,0,0]=4 5212 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100016084084_100000099810 [0,1,0,0,0,1|2,0,0]=4 5213 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100016084084_100025702911 [0,1,0,0,0,1|2,0,0]=4 5214 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100025702911_100016084084 [0,1,0,0,0,1|2,0,0]=4 5215 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100000099807_100016084084 [0,1,0,0,0,1|2,0,0]=4 5216 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100016084084_100000099807 [0,1,0,0,0,1|2,0,0]=4 5217 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100000104219_100016084084 [0,1,0,0,0,1|2,0,0]=4 5218 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100016084084_100000104219 [0,1,0,0,0,1|2,0,0]=4 5219 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_100016084084_200020655725 [0,1,0,0,0,1|2,0,0]=4 5220 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_200020655725_100016084084 [0,1,0,0,0,1|2,0,0]=4 5221 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,1,0,0,0,1|2,0,0]=4 5222 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,1,0,0,0,1|2,0,0]=4 5223 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,1,0,0,0,1|2,0,0]=4 5224 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,1,0,0,0,1|2,0,0]=4 5225 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,1,0,0,0,1|2,0,0]=4 5226 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,1,0,0,0,1|2,0,0]=4 5227 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,1,0,0,0,1|2,0,0]=4 5228 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,1,0,0,0,1|2,0,0]=4 5229 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,1,0,0,0,1|2,0,0]=4 5230 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,1,0,0,0,1|2,0,0]=4 5231 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,1,0,0,0,1|2,0,0]=4 5232 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,1,0,0,0,1|2,0,0]=4 5233 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,1,0,0,0,1|2,0,0]=4 5234 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,1,0,0,0,1|2,0,0]=4 5235 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,1,0,0,0,1|2,0,0]=4 5236 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 2230a_100000744241_200025704644 [0,1,0,0,0,1|2,0,0]=4 5237 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 34a_100000744241_200025704644 [0,1,0,0,0,1|2,0,0]=4 5238 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,1,0,0,0,1|2,0,0]=4 5239 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,1,0,0,0,1|2,0,0]=4 5240 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,1,0,0,0,1|2,0,0]=4 5241 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,1,0,0,0,1|2,0,0]=4 5242 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,1,0,0,0,1|2,0,0]=4 5243 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,1,0,0,0,1|2,0,0]=4 5244 B13R1.528 Cc1cccnc1CNC(C)C#N 2230a_100000737613_100000696600 [0,1,0,0,0,1|1,0,1]=4 5245 B13R1.528 Cc1cccnc1CNC(C)CO 34a_100011223789_100012180447 [0,1,0,0,0,1|1,0,0]=3 5246 B13R1.528 Cc1cccnc1CN[C@H](C)CF 207a_100102880703_100000698913 [0,1,0,0,0,1|1,0,0]=3 5247 B13R1.528 Cc1cccnc1CN[C@H](C)CF 270004a_100102880703_100000698913 [0,1,0,0,0,1|1,0,0]=3 5248 B13R1.528 Cc1cccnc1CN[C@H](C)CO 207a_100000737577_100000698913 [0,1,0,0,0,1|1,0,0]=3 5249 B13R1.528 Cc1cccnc1CN[C@H](C)CO 2230a_100000737577_100000696600 [0,1,0,0,0,1|1,0,0]=3 5250 B13R1.528 Cc1cccnc1CN[C@H](C)CO 270004a_100000737577_100000698913 [0,1,0,0,0,1|1,0,0]=3 5251 B13R1.528 Cc1cccnc1COC(C)C#N 34a_100011218135_100000696600 [0,1,0,0,0,1|1,0,1]=4 5252 B13R1.528 Cc1cccnc1COC(C)CF 34a_100016041109_100000696600 [0,1,0,0,0,1|1,0,0]=3 5253 B13R1.528 Cc1cccnc1COC(C)CF 7a_100016041109_100000696600 [0,1,0,0,0,1|1,0,0]=3 5254 B13R1.528 Cc1cccnc1COC(C)CN 34a_100000210904_100000696600 [0,1,0,0,0,1|1,0,0]=3 5255 B13R1.528 Cc1cccnc1COC(C)CO 34a_100000698912_100012180447 [0,1,0,0,0,1|1,0,0]=3 5256 B13R1.528 Cc1cccnc1CSC(C)C#N 62a_100000696600_100000703298 [0,1,0,0,0,1|1,0,1]=4 5257 B13R1.528 Cc1cccnc1CSC(C)C#N 62a_100000703298_100000696600 [0,1,0,0,0,1|1,0,1]=4 5258 B13R1.528 Cc1cccnc1CSC(C)CO 62a_100012180447_100000696600 [0,1,0,0,0,1|1,0,0]=3 5259 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100000696600_100016084084 [0,1,0,0,0,1|1,0,0]=3 5260 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100016084084_100000696600 [0,1,0,0,0,1|1,0,0]=3 5261 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100000751373_100011219619 [0,1,0,0,0,1|2,0,0]=4 5262 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100011219619_100000751373 [0,1,0,0,0,1|2,0,0]=4 5263 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000751373 [0,1,0,0,0,1|1,0,0]=3 5264 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000751373_100000059175 [0,1,0,0,0,1|1,0,0]=3 5265 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100000751373_100015614560 [0,1,0,0,0,1|2,0,0]=4 5266 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000751373 [0,1,0,0,0,1|2,0,0]=4 5267 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100000751373_100009815848 [0,1,0,0,0,1|2,0,0]=4 5268 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000751373 [0,1,0,0,0,1|2,0,0]=4 5269 B13R1.528 Cc1ccnnc1NCC(C)CO 27a_100000744482_100000089043 [0,1,0,0,0,1|2,0,0]=4 5270 B13R1.528 Cc1ccnnc1SC[C@@H](C)CO 62a_100000059175_100000089043 [0,1,0,0,0,1|2,0,0]=4 5271 B13R1.528 Cc1cncnc1NCC(C)CO 27a_100000744482_100011998708 [0,1,0,0,0,1|2,0,0]=4 5272 B13R1.528 Cc1cncnc1SC[C@@H](C)CO 62a_100000059175_100011998708 [0,1,0,0,0,1|2,0,0]=4 5273 B13R1.528 Cc1cncnc1SC[C@@H](C)CO 62a_100011998708_100000059175 [0,1,0,0,0,1|2,0,0]=4 5274 B13R1.528 Cc1ncccc1CNC(C)C#N 2230a_100000737613_100000732876 [0,1,0,0,0,1|1,0,1]=4 5275 B13R1.528 Cc1ncccc1CN[C@H](C)CF 207a_100102880703_100000751968 [0,1,0,0,0,1|1,0,0]=3 5276 B13R1.528 Cc1ncccc1CN[C@H](C)CF 270004a_100102880703_100000751968 [0,1,0,0,0,1|1,0,0]=3 5277 B13R1.528 Cc1ncccc1CN[C@H](C)CO 207a_100000737577_100000751968 [0,1,0,0,0,1|1,0,0]=3 5278 B13R1.528 Cc1ncccc1CN[C@H](C)CO 2230a_100000737577_100000732876 [0,1,0,0,0,1|1,0,0]=3 5279 B13R1.528 Cc1ncccc1CN[C@H](C)CO 270004a_100000737577_100000751968 [0,1,0,0,0,1|1,0,0]=3 5280 B13R1.528 Cc1ncccc1COC(C)C#N 34a_100011218135_100000732876 [0,1,0,0,0,1|1,0,1]=4 5281 B13R1.528 Cc1ncccc1COC(C)C#N 7a_100000729262_100000703298 [0,1,0,0,0,1|1,0,1]=4 5282 B13R1.528 Cc1ncccc1COC(C)CF 34a_100016041109_100000732876 [0,1,0,0,0,1|1,0,0]=3 5283 B13R1.528 Cc1ncccc1COC(C)CF 7a_100016041109_100000732876 [0,1,0,0,0,1|1,0,0]=3 5284 B13R1.528 Cc1ncccc1COC(C)CN 34a_100000210904_100000732876 [0,1,0,0,0,1|1,0,0]=3 5285 B13R1.528 Cc1ncccc1COC(C)CO 34a_100000729262_100012180447 [0,1,0,0,0,1|1,0,0]=3 5286 B13R1.528 Cc1ncccc1COC(C)CO 7a_100000729262_100012180447 [0,1,0,0,0,1|1,0,0]=3 5287 B13R1.528 Cc1ncccc1CSC(C)C#N 62a_100000703298_100000732876 [0,1,0,0,0,1|1,0,1]=4 5288 B13R1.528 Cc1ncccc1CSC(C)C#N 62a_100000732876_100000703298 [0,1,0,0,0,1|1,0,1]=4 5289 B13R1.528 Cc1ncccc1CSC(C)CO 62a_100012180447_100000732876 [0,1,0,0,0,1|1,0,0]=3 5290 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100000732876_100016084084 [0,1,0,0,0,1|1,0,0]=3 5291 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100016084084_100000732876 [0,1,0,0,0,1|1,0,0]=3 5292 B13R1.528 Cc1ncccc1OCC(O)CO 34a_100000745507_100011219619 [0,1,0,0,0,1|2,0,0]=4 5293 B13R1.528 Cc1ncccc1OCC(O)CO 7a_100000745507_100011219619 [0,1,0,0,0,1|2,0,0]=4 5294 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 34a_100000745507_100000059175 [0,1,0,0,0,1|1,0,0]=3 5295 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 7a_100000745507_100000059175 [0,1,0,0,0,1|1,0,0]=3 5296 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 34a_100000745507_100015614560 [0,1,0,0,0,1|2,0,0]=4 5297 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 7a_100000745507_100015614560 [0,1,0,0,0,1|2,0,0]=4 5298 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 34a_100000745507_100009815848 [0,1,0,0,0,1|2,0,0]=4 5299 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 7a_100000745507_100009815848 [0,1,0,0,0,1|2,0,0]=4 5300 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100000751574_100011219619 [0,1,0,0,0,1|2,0,0]=4 5301 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100011219619_100000751574 [0,1,0,0,0,1|2,0,0]=4 5302 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000751574 [0,1,0,0,0,1|1,0,0]=3 5303 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000751574_100000059175 [0,1,0,0,0,1|1,0,0]=3 5304 B13R1.528 Cc1ncccc1SC[C@@H](O)CF 62a_100000751574_100015614560 [0,1,0,0,0,1|2,0,0]=4 5305 B13R1.528 Cc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000751574 [0,1,0,0,0,1|2,0,0]=4 5306 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100000751574_100009815848 [0,1,0,0,0,1|2,0,0]=4 5307 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000751574 [0,1,0,0,0,1|2,0,0]=4 5308 B13R1.528 Cc1nccnc1CNC(=O)CO 240690a_100020641712_100000210174 [0,1,0,0,0,1|1,0,1]=4 5309 B13R1.528 Cc1nccnc1CNC(=O)CO 527a_100020641712_100000210174 [0,1,0,0,0,1|1,0,1]=4 5310 B13R1.528 Cc1nccnc1CNC(C)C#N 2230a_100020641712_100000184139 [0,1,0,0,0,1|0,0,1]=3 5311 B13R1.528 Cc1nccnc1CNC(C)CO 2230a_100020641712_100012180447 [0,1,0,0,0,1|0,0,0]=2 5312 B13R1.528 Cc1nccnc1CNC(C)CO 34a_100020641712_100012180447 [0,1,0,0,0,1|0,0,0]=2 5313 B13R1.528 Cc1nccnc1CN[C@H](C)CF 270004a_100102880703_100000050726 [0,1,0,0,0,1|0,0,0]=2 5314 B13R1.528 Cc1nccnc1CN[C@H](C)CO 270004a_100000737577_100000050726 [0,1,0,0,0,1|0,0,0]=2 5315 B13R1.528 Cc1nccnc1NCC(C)CO 27a_100000744482_100011999405 [0,1,0,0,0,1|0,0,0]=2 5316 B13R1.528 Cc1nccnc1NC[C@@H](F)CO 27a_100015665980_100011999405 [0,1,0,0,0,1|1,0,0]=3 5317 B13R1.528 Cc1nccnc1NC[C@H](O)CO 27a_100020644852_100011999405 [0,1,0,0,0,1|1,0,0]=3 5318 B13R1.528 Cc1nccnc1OCC(O)CO 34a_100000766352_100011219619 [0,1,0,0,0,1|1,0,0]=3 5319 B13R1.528 Cc1nccnc1OC[C@@H](C)CO 34a_100000766352_100000059175 [0,1,0,0,0,1|0,0,0]=2 5320 B13R1.528 Cc1nccnc1OC[C@@H](O)CF 34a_100000766352_100015614560 [0,1,0,0,0,1|1,0,0]=3 5321 B13R1.528 Cc1nccnc1OC[C@@H](O)CO 34a_100000766352_100009815848 [0,1,0,0,0,1|1,0,0]=3 5322 B13R1.528 Cc1nccnc1SCC(O)CO 62a_100011219619_100011999405 [0,1,0,0,0,1|1,0,0]=3 5323 B13R1.528 Cc1nccnc1SCC(O)CO 62a_100011999405_100011219619 [0,1,0,0,0,1|1,0,0]=3 5324 B13R1.528 Cc1nccnc1SC[C@@H](C)CO 62a_100000059175_100011999405 [0,1,0,0,0,1|0,0,0]=2 5325 B13R1.528 Cc1nccnc1SC[C@@H](C)CO 62a_100011999405_100000059175 [0,1,0,0,0,1|0,0,0]=2 5326 B13R1.528 Cc1nccnc1SC[C@@H](O)CF 62a_100011999405_100015614560 [0,1,0,0,0,1|1,0,0]=3 5327 B13R1.528 Cc1nccnc1SC[C@@H](O)CF 62a_100015614560_100011999405 [0,1,0,0,0,1|1,0,0]=3 5328 B13R1.528 Cc1nccnc1SC[C@@H](O)CO 62a_100009815848_100011999405 [0,1,0,0,0,1|1,0,0]=3 5329 B13R1.528 Cc1nccnc1SC[C@@H](O)CO 62a_100011999405_100009815848 [0,1,0,0,0,1|1,0,0]=3 5330 B13R1.528 Cc1ncncc1SC[C@@H](C)CO 62a_100000059175_100009819671 [0,1,0,0,0,1|2,0,0]=4 5331 B13R1.528 Cc1ncncc1SC[C@@H](C)CO 62a_100009819671_100000059175 [0,1,0,0,0,1|2,0,0]=4 5332 B13R1.528 Nc1nccnc1SCC(O)CO 62a_100000747729_100011219619 [0,1,0,0,0,1|2,0,0]=4 5333 B13R1.528 Nc1nccnc1SCC(O)CO 62a_100011219619_100000747729 [0,1,0,0,0,1|2,0,0]=4 5334 B13R1.528 Nc1nccnc1SC[C@@H](O)CF 62a_100000747729_100015614560 [0,1,0,0,0,1|2,0,0]=4 5335 B13R1.528 Nc1nccnc1SC[C@@H](O)CF 62a_100015614560_100000747729 [0,1,0,0,0,1|2,0,0]=4 5336 B13R1.528 Nc1nccnc1SC[C@@H](O)CO 62a_100000747729_100009815848 [0,1,0,0,0,1|2,0,0]=4 5337 B13R1.528 Nc1nccnc1SC[C@@H](O)CO 62a_100009815848_100000747729 [0,1,0,0,0,1|2,0,0]=4 5338 B13R1.528 OCC(O)CSc1nccnc1Cl 62a_100010886584_100011219619 [0,1,0,0,0,1|2,0,0]=4 5339 B13R1.528 OCC(O)CSc1nccnc1Cl 62a_100011219619_100010886584 [0,1,0,0,0,1|2,0,0]=4 5340 B13R1.528 OCC(O)CSc1nccnc1F 62a_100011219619_200010125657 [0,1,0,0,0,1|2,0,0]=4 5341 B13R1.528 OCC(O)CSc1nccnc1F 62a_200010125657_100011219619 [0,1,0,0,0,1|2,0,0]=4 5342 B13R1.528 OC[C@@H](O)CNc1nccnc1F 27a_100020644852_200010125657 [0,1,0,0,0,1|2,0,0]=4 5343 B13R1.528 OC[C@H](F)CNc1nccnc1F 27a_100015665980_200010125657 [0,1,0,0,0,1|2,0,0]=4 5344 B13R1.528 OC[C@H](O)CSc1nccnc1Cl 62a_100009815848_100010886584 [0,1,0,0,0,1|2,0,0]=4 5345 B13R1.528 OC[C@H](O)CSc1nccnc1Cl 62a_100010886584_100009815848 [0,1,0,0,0,1|2,0,0]=4 5346 B13R1.528 OC[C@H](O)CSc1nccnc1F 62a_100009815848_200010125657 [0,1,0,0,0,1|2,0,0]=4 5347 B13R1.528 OC[C@H](O)CSc1nccnc1F 62a_200010125657_100009815848 [0,1,0,0,0,1|2,0,0]=4 5348 B13R1.528 O[C@@H](CF)CSc1nccnc1Cl 62a_100010886584_100015614560 [0,1,0,0,0,1|2,0,0]=4 5349 B13R1.528 O[C@@H](CF)CSc1nccnc1Cl 62a_100015614560_100010886584 [0,1,0,0,0,1|2,0,0]=4 5350 B13R1.528 O[C@@H](CF)CSc1nccnc1F 62a_100015614560_200010125657 [0,1,0,0,0,1|2,0,0]=4 5351 B13R1.528 O[C@@H](CF)CSc1nccnc1F 62a_200010125657_100015614560 [0,1,0,0,0,1|2,0,0]=4 5352 B13R1.893 C=C(C)CNc1nc(cnc1C)C 27a_100000765925_100000211308 [0,1,0,0,0,1|0,0,2]=4 5353 B13R1.893 C=C(C)CSc1nc(cnc1C)C 62a_100000211308_100000211660 [0,1,0,0,0,1|0,0,2]=4 5354 B13R1.893 C=C(C)CSc1nc(cnc1C)C 62a_100000748629_100000211308 [0,1,0,0,0,1|0,0,2]=4 5355 B13R1.893 C=C(C)CSc1nc(cnc1C)N 62a_100000748629_100009877824 [0,1,0,0,0,1|0,0,2]=4 5356 B13R1.893 C=C(C)CSc1nc(cnc1C)N 62a_100009877824_100000211660 [0,1,0,0,0,1|0,0,2]=4 5357 B13R1.893 CC(C)C=Cc1nc(cnc1N)Br 271570a_100016257149_100010988662 [0,1,0,0,0,1|1,0,1]=4 5358 B13R1.893 CC(C)CNc1cc(cnc1F)Br 27a_100000210953_100010172738 [0,1,0,0,0,1|2,0,0]=4 5359 B13R1.893 CC(C)CNc1cc(cnc1F)Cl 27a_100000210953_100010188783 [0,1,0,0,0,1|2,0,0]=4 5360 B13R1.893 CC(C)CNc1nc(ccc1F)F 27a_100000210953_100010997973 [0,1,0,0,0,1|2,0,0]=4 5361 B13R1.893 CC(C)CNc1nc(ccc1N)F 27a_100000210953_100009879877 [0,1,0,0,0,1|2,0,0]=4 5362 B13R1.893 CC(C)COc1cc(cnc1Br)Cl 34a_100000697010_100000210624 [0,1,0,0,0,1|2,0,0]=4 5363 B13R1.893 CC(C)COc1cc(cnc1Br)Cl 7a_100000697010_100000210760 [0,1,0,0,0,1|2,0,0]=4 5364 B13R1.893 CC(C)COc1cc(cnc1Br)F 34a_100009820119_100000210624 [0,1,0,0,0,1|2,0,0]=4 5365 B13R1.893 CC(C)COc1cc(cnc1Br)F 7a_100009820119_100000210760 [0,1,0,0,0,1|2,0,0]=4 5366 B13R1.893 CC(C)COc1cc(cnc1Cl)Br 34a_100012354860_100000210624 [0,1,0,0,0,1|2,0,0]=4 5367 B13R1.893 CC(C)COc1cc(cnc1Cl)Br 7a_100012354860_100000210760 [0,1,0,0,0,1|2,0,0]=4 5368 B13R1.893 CC(C)COc1cc(cnc1Cl)F 34a_100000079967_100000210624 [0,1,0,0,0,1|2,0,0]=4 5369 B13R1.893 CC(C)COc1cc(cnc1Cl)F 7a_100000079967_100000210760 [0,1,0,0,0,1|2,0,0]=4 5370 B13R1.893 CC(C)COc1cc(cnc1F)Br 34a_100009819871_100000210624 [0,1,0,0,0,1|2,0,0]=4 5371 B13R1.893 CC(C)COc1cc(cnc1F)Br 7a_100009819871_100000210760 [0,1,0,0,0,1|2,0,0]=4 5372 B13R1.893 CC(C)COc1cc(cnc1F)Cl 34a_100000094372_100000210624 [0,1,0,0,0,1|2,0,0]=4 5373 B13R1.893 CC(C)COc1cc(cnc1F)Cl 7a_100000094372_100000210760 [0,1,0,0,0,1|2,0,0]=4 5374 B13R1.893 CC(C)COc1cc(cnc1I)Br 34a_100010210634_100000210624 [0,1,0,0,0,1|2,0,0]=4 5375 B13R1.893 CC(C)COc1cc(cnc1I)Br 7a_100010210634_100000210760 [0,1,0,0,0,1|2,0,0]=4 5376 B13R1.893 CC(C)COc1cc(cnc1I)Cl 34a_100010233512_100000210624 [0,1,0,0,0,1|2,0,0]=4 5377 B13R1.893 CC(C)COc1cc(cnc1I)Cl 7a_100010233512_100000210760 [0,1,0,0,0,1|2,0,0]=4 5378 B13R1.893 CC(C)COc1cc(cnc1I)F 34a_100015624800_100000210624 [0,1,0,0,0,1|2,0,0]=4 5379 B13R1.893 CC(C)COc1cc(cnc1I)F 7a_100015624800_100000210760 [0,1,0,0,0,1|2,0,0]=4 5380 B13R1.893 CC(C)COc1cc(cnc1N)Br 34a_100009819042_100000210624 [0,1,0,0,0,1|2,0,0]=4 5381 B13R1.893 CC(C)COc1cc(cnc1N)Br 7a_100009819042_100000210760 [0,1,0,0,0,1|2,0,0]=4 5382 B13R1.893 CC(C)COc1cc(cnc1N)Cl 34a_100000123674_100000210624 [0,1,0,0,0,1|2,0,0]=4 5383 B13R1.893 CC(C)COc1cc(cnc1N)Cl 7a_100000123674_100000210760 [0,1,0,0,0,1|2,0,0]=4 5384 B13R1.893 CC(C)COc1cc(cnc1N)F 34a_100000094369_100000210624 [0,1,0,0,0,1|2,0,0]=4 5385 B13R1.893 CC(C)COc1cc(cnc1N)F 7a_100000094369_100000210760 [0,1,0,0,0,1|2,0,0]=4 5386 B13R1.893 CC(C)COc1nc(ccc1F)Cl 34a_100010729010_100000210624 [0,1,0,0,0,1|2,0,0]=4 5387 B13R1.893 CC(C)CSc1cc(cnc1Br)N 62a_100000210624_100010201102 [0,1,0,0,0,1|2,0,0]=4 5388 B13R1.893 CC(C)CSc1cc(cnc1Br)N 62a_100010201102_100000210760 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.893 CC(C)CSc1cc(cnc1Cl)Br 62a_100000210624_100009814771 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.893 CC(C)CSc1cc(cnc1Cl)Br 62a_100009814771_100000210760 [0,1,0,0,0,1|2,0,0]=4 5391 B13R1.893 CC(C)CSc1cc(cnc1Cl)Cl 62a_100000210624_200000062399 [0,1,0,0,0,1|2,0,0]=4 5392 B13R1.893 CC(C)CSc1cc(cnc1Cl)Cl 62a_200000062399_100000210760 [0,1,0,0,0,1|2,0,0]=4 5393 B13R1.893 CC(C)CSc1cc(cnc1Cl)N 62a_100000210624_100010253917 [0,1,0,0,0,1|2,0,0]=4 5394 B13R1.893 CC(C)CSc1cc(cnc1Cl)N 62a_100010253917_100000210760 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.893 CC(C)CSc1cc(cnc1F)Br 62a_100000210624_100010172738 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.893 CC(C)CSc1cc(cnc1F)Br 62a_100010172738_100000210760 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.893 CC(C)CSc1cc(cnc1F)Cl 62a_100000210624_100010188783 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.893 CC(C)CSc1cc(cnc1F)Cl 62a_100010188783_100000210760 [0,1,0,0,0,1|2,0,0]=4 5399 B13R1.893 CC(C)CSc1cc(cnc1F)F 62a_100000210624_100009820768 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.893 CC(C)CSc1cc(cnc1F)F 62a_100009820768_100000210760 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.893 CC(C)CSc1cc(cnc1F)N 62a_100000210624_100009840397 [0,1,0,0,0,1|2,0,0]=4 5402 B13R1.893 CC(C)CSc1cc(cnc1F)N 62a_100009840397_100000210760 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.893 CC(C)CSc1cc(cnc1F)O 62a_100000210624_100009817267 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.893 CC(C)CSc1cc(cnc1F)O 62a_100009817267_100000210760 [0,1,0,0,0,1|2,0,0]=4 5405 B13R1.893 CC(C)CSc1cc(cnc1N)Br 62a_100000210624_100000760472 [0,1,0,0,0,1|2,0,0]=4 5406 B13R1.893 CC(C)CSc1cc(cnc1N)Br 62a_100000760472_100000210760 [0,1,0,0,0,1|2,0,0]=4 5407 B13R1.893 CC(C)CSc1cc(cnc1N)Cl 62a_100000050159_100000210760 [0,1,0,0,0,1|2,0,0]=4 5408 B13R1.893 CC(C)CSc1cc(cnc1N)Cl 62a_100000210624_100000050159 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.893 CC(C)CSc1cc(cnc1N)F 62a_100000210624_100009814671 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.893 CC(C)CSc1cc(cnc1N)F 62a_100009814671_100000210760 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.893 CC(C)CSc1cc(cnc1N)N 62a_100000210624_200011934315 [0,1,0,0,0,1|2,0,0]=4 5412 B13R1.893 CC(C)CSc1cc(cnc1N)N 62a_200011934315_100000210760 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.893 CC(C)CSc1cc(cnc1O)Br 62a_100000210624_100010197142 [0,1,0,0,0,1|2,0,0]=4 5414 B13R1.893 CC(C)CSc1cc(cnc1O)Br 62a_100010197142_100000210760 [0,1,0,0,0,1|2,0,0]=4 5415 B13R1.893 CC(C)CSc1cc(cnc1O)Cl 62a_100000210624_100010188700 [0,1,0,0,0,1|2,0,0]=4 5416 B13R1.893 CC(C)CSc1cc(cnc1O)Cl 62a_100010188700_100000210760 [0,1,0,0,0,1|2,0,0]=4 5417 B13R1.893 CC(C)CSc1nc(ccc1Br)N 62a_100000210624_100010192275 [0,1,0,0,0,1|2,0,0]=4 5418 B13R1.893 CC(C)CSc1nc(ccc1Br)N 62a_100010192275_100000210760 [0,1,0,0,0,1|2,0,0]=4 5419 B13R1.893 CC(C)CSc1nc(ccc1F)Cl 62a_100000210624_100010136221 [0,1,0,0,0,1|2,0,0]=4 5420 B13R1.893 CC(C)CSc1nc(ccc1F)Cl 62a_100010136221_100000210760 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.893 CC(C)CSc1nc(ccc1F)F 62a_100000210624_100010997973 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.893 CC(C)CSc1nc(ccc1F)F 62a_100010997973_100000210760 [0,1,0,0,0,1|2,0,0]=4 5423 B13R1.893 CC(C)CSc1nc(ccc1F)N 62a_100000210624_100010892222 [0,1,0,0,0,1|2,0,0]=4 5424 B13R1.893 CC(C)CSc1nc(ccc1F)N 62a_100010892222_100000210760 [0,1,0,0,0,1|2,0,0]=4 5425 B13R1.893 CC(C)CSc1nc(ccc1N)Br 62a_100000210624_100010168765 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.893 CC(C)CSc1nc(ccc1N)Br 62a_100010168765_100000210760 [0,1,0,0,0,1|2,0,0]=4 5427 B13R1.893 CC(C)CSc1nc(ccc1N)Cl 62a_100000210624_100010233647 [0,1,0,0,0,1|2,0,0]=4 5428 B13R1.893 CC(C)CSc1nc(ccc1N)Cl 62a_100010233647_100000210760 [0,1,0,0,0,1|2,0,0]=4 5429 B13R1.893 CC(C)CSc1nc(ccc1N)F 62a_100000210624_100009879877 [0,1,0,0,0,1|2,0,0]=4 5430 B13R1.893 CC(C)CSc1nc(ccc1N)F 62a_100009879877_100000210760 [0,1,0,0,0,1|2,0,0]=4 5431 B13R1.893 CC(C)CSc1nc(ccc1N)N 62a_100000210624_200009884323 [0,1,0,0,0,1|2,0,0]=4 5432 B13R1.893 CC(C)CSc1nc(ccc1N)N 62a_200009884323_100000210760 [0,1,0,0,0,1|2,0,0]=4 5433 B13R1.893 CC(C)CSc1nc(ccc1O)Br 62a_100000210624_100010253912 [0,1,0,0,0,1|2,0,0]=4 5434 B13R1.893 CC(C)CSc1nc(ccc1O)Br 62a_100010253912_100000210760 [0,1,0,0,0,1|2,0,0]=4 5435 B13R1.893 CC(C)CSc1nc(ccc1O)Cl 62a_100000210624_100000696390 [0,1,0,0,0,1|2,0,0]=4 5436 B13R1.893 CC(C)CSc1nc(ccc1O)F 62a_100000210624_100010382442 [0,1,0,0,0,1|2,0,0]=4 5437 B13R1.893 CC(C)CSc1nc(ccc1O)F 62a_100010382442_100000210760 [0,1,0,0,0,1|2,0,0]=4 5438 B13R1.893 CC(C)CSc1nc(cnc1N)Br 62a_100000210624_100010988662 [0,1,0,0,0,1|1,0,0]=3 5439 B13R1.893 CC(C)CSc1nc(cnc1N)Br 62a_100010988662_100000210760 [0,1,0,0,0,1|1,0,0]=3 5440 B13R1.893 CC(C)NCc1cc(cnc1Br)Br 207a_100138425928_100010177830 [0,1,0,0,0,1|2,0,0]=4 5441 B13R1.893 CC(C)NCc1cc(cnc1Br)Br 2230a_100138425928_100010253922 [0,1,0,0,0,1|2,0,0]=4 5442 B13R1.893 CC(C)NCc1cc(cnc1Br)Br 34a_100138425928_100010253922 [0,1,0,0,0,1|2,0,0]=4 5443 B13R1.893 CC(C)NCc1cc(cnc1Br)F 2230a_100010760786_100000210206 [0,1,0,0,0,1|2,0,0]=4 5444 B13R1.893 CC(C)NCc1cc(cnc1Br)F 34a_100010760786_100000210206 [0,1,0,0,0,1|2,0,0]=4 5445 B13R1.893 CC(C)NCc1cc(cnc1Cl)Br 207a_100138425928_100009816941 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.893 CC(C)NCc1cc(cnc1Cl)Br 2230a_100138425928_100009816982 [0,1,0,0,0,1|2,0,0]=4 5447 B13R1.893 CC(C)NCc1cc(cnc1Cl)Br 34a_100138425928_100009816982 [0,1,0,0,0,1|2,0,0]=4 5448 B13R1.893 CC(C)NCc1cc(cnc1Cl)Cl 207a_100138425928_100000086932 [0,1,0,0,0,1|2,0,0]=4 5449 B13R1.893 CC(C)NCc1cc(cnc1Cl)F 207a_100138425928_100000079965 [0,1,0,0,0,1|2,0,0]=4 5450 B13R1.893 CC(C)NCc1cc(cnc1O)Br 207a_100138425928_100010064889 [0,1,0,0,0,1|2,0,0]=4 5451 B13R1.893 CC(C)NCc1nc(ccc1Cl)Cl 2230a_100138425928_100000059412 [0,1,0,0,0,1|2,0,0]=4 5452 B13R1.893 CC(C)NCc1nc(ccc1Cl)Cl 34a_100138425928_100000059412 [0,1,0,0,0,1|2,0,0]=4 5453 B13R1.893 CC(C)NCc1nc(ccc1F)Br 2230a_100138425928_100010065826 [0,1,0,0,0,1|2,0,0]=4 5454 B13R1.893 CC(C)NCc1nc(ccc1F)Br 34a_100138425928_100010065826 [0,1,0,0,0,1|2,0,0]=4 5455 B13R1.893 CC(C)NCc1nc(ccc1F)Cl 2230a_100009887702_100000210206 [0,1,0,0,0,1|2,0,0]=4 5456 B13R1.893 CC(C)NCc1nc(ccc1F)Cl 2230a_100138425928_100009881012 [0,1,0,0,0,1|2,0,0]=4 5457 B13R1.893 CC(C)NCc1nc(ccc1F)Cl 34a_100009887702_100000210206 [0,1,0,0,0,1|2,0,0]=4 5458 B13R1.893 CC(C)NCc1nc(ccc1F)Cl 34a_100138425928_100009881012 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.893 CC(C)OCc1cc(cnc1Br)Br 34a_100000212225_100010253922 [0,1,0,0,0,1|2,0,0]=4 5460 B13R1.893 CC(C)OCc1cc(cnc1Br)Cl 34a_200010065233_100000210206 [0,1,0,0,0,1|2,0,0]=4 5461 B13R1.893 CC(C)OCc1cc(cnc1Br)Cl 7a_200010065233_100000210206 [0,1,0,0,0,1|2,0,0]=4 5462 B13R1.893 CC(C)OCc1cc(cnc1Cl)Br 34a_100000212225_100009816982 [0,1,0,0,0,1|2,0,0]=4 5463 B13R1.893 CC(C)OCc1cc(cnc1Cl)Br 34a_100000734252_100000210206 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.893 CC(C)OCc1cc(cnc1Cl)Br 7a_100000734252_100000210206 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.893 CC(C)OCc1cc(cnc1Cl)Cl 34a_100000084153_100000210206 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.893 CC(C)OCc1cc(cnc1Cl)Cl 7a_100000084153_100000210206 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.893 CC(C)OCc1cc(cnc1Cl)F 34a_100000079972_100000210206 [0,1,0,0,0,1|2,0,0]=4 5468 B13R1.893 CC(C)OCc1cc(cnc1Cl)F 7a_100000079972_100000210206 [0,1,0,0,0,1|2,0,0]=4 5469 B13R1.893 CC(C)OCc1cc(cnc1F)Br 34a_100010202234_100000210206 [0,1,0,0,0,1|2,0,0]=4 5470 B13R1.893 CC(C)OCc1cc(cnc1F)Br 7a_100010202234_100000210206 [0,1,0,0,0,1|2,0,0]=4 5471 B13R1.893 CC(C)OCc1cc(cnc1F)Cl 34a_200000081815_100000210206 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.893 CC(C)OCc1cc(cnc1F)Cl 7a_200000081815_100000210206 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.893 CC(C)OCc1cc(cnc1N)Br 34a_100011934449_100000210206 [0,1,0,0,0,1|2,0,0]=4 5474 B13R1.893 CC(C)OCc1cc(cnc1N)Br 7a_100011934449_100000210206 [0,1,0,0,0,1|2,0,0]=4 5475 B13R1.893 CC(C)OCc1nc(ccc1Br)Br 34a_200010065229_100000210206 [0,1,0,0,0,1|2,0,0]=4 5476 B13R1.893 CC(C)OCc1nc(ccc1Br)Br 7a_200010065229_100000210206 [0,1,0,0,0,1|2,0,0]=4 5477 B13R1.893 CC(C)OCc1nc(ccc1Br)Cl 34a_100010244999_100000210206 [0,1,0,0,0,1|2,0,0]=4 5478 B13R1.893 CC(C)OCc1nc(ccc1Br)F 34a_100000701195_100000210206 [0,1,0,0,0,1|2,0,0]=4 5479 B13R1.893 CC(C)OCc1nc(ccc1Cl)Cl 34a_100000212225_100000059412 [0,1,0,0,0,1|2,0,0]=4 5480 B13R1.893 CC(C)OCc1nc(ccc1Cl)Cl 34a_100000749784_100000210206 [0,1,0,0,0,1|2,0,0]=4 5481 B13R1.893 CC(C)OCc1nc(ccc1F)Br 34a_100000212225_100010065826 [0,1,0,0,0,1|2,0,0]=4 5482 B13R1.893 CC(C)OCc1nc(ccc1F)Cl 34a_100000212225_100009881012 [0,1,0,0,0,1|2,0,0]=4 5483 B13R1.893 CC(C)SCc1cc(cnc1Br)Br 62a_100000210206_100010253922 [0,1,0,0,0,1|2,0,0]=4 5484 B13R1.893 CC(C)SCc1cc(cnc1Br)Br 62a_100010253922_100000210206 [0,1,0,0,0,1|2,0,0]=4 5485 B13R1.893 CC(C)SCc1cc(cnc1Cl)Br 62a_100000210206_100009816982 [0,1,0,0,0,1|2,0,0]=4 5486 B13R1.893 CC(C)SCc1cc(cnc1Cl)Br 62a_100009816982_100000210206 [0,1,0,0,0,1|2,0,0]=4 5487 B13R1.893 CC(C)SCc1nc(ccc1Cl)Cl 62a_100000059412_100000210206 [0,1,0,0,0,1|2,0,0]=4 5488 B13R1.893 CC(C)SCc1nc(ccc1Cl)Cl 62a_100000210206_100000059412 [0,1,0,0,0,1|2,0,0]=4 5489 B13R1.893 CC(C)SCc1nc(ccc1F)Br 62a_100000210206_100010065826 [0,1,0,0,0,1|2,0,0]=4 5490 B13R1.893 CC(C)SCc1nc(ccc1F)Br 62a_100010065826_100000210206 [0,1,0,0,0,1|2,0,0]=4 5491 B13R1.893 CC(C)SCc1nc(ccc1F)Cl 62a_100000210206_100009881012 [0,1,0,0,0,1|2,0,0]=4 5492 B13R1.893 CC(C)SCc1nc(ccc1F)Cl 62a_100009881012_100000210206 [0,1,0,0,0,1|2,0,0]=4 5493 B13R1.893 CC(O)CSc1nc(cnc1N)Br 62a_100010988662_100011218427 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.893 CC(O)CSc1nc(cnc1N)Br 62a_100011218427_100010988662 [0,1,0,0,0,1|2,0,0]=4 5495 B13R1.893 C[C@@H](O)CSc1nc(cnc1N)Br 62a_100009817552_100010988662 [0,1,0,0,0,1|2,0,0]=4 5496 B13R1.893 C[C@@H](O)CSc1nc(cnc1N)Br 62a_100010988662_100009817552 [0,1,0,0,0,1|2,0,0]=4 5497 B13R1.893 Cc1c[nH]c(=O)c(n1)SCC(C)C 62a_100000210624_100009858157 [0,1,0,0,0,1|1,0,1]=4 5498 B13R1.893 Cc1c[nH]c(=O)c(n1)SCC(C)C 62a_100009858157_100000210760 [0,1,0,0,0,1|1,0,1]=4 5499 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 207a_100138425928_100000211343 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 2230a_100138425928_100000184699 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 34a_100000174964_100000210206 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 34a_100138425928_100000184699 [0,1,0,0,0,1|2,0,0]=4 5503 B13R1.893 Cc1ccc(c(c1)COC(C)C)C 34a_100000212225_100000184699 [0,1,0,0,0,1|2,0,0]=4 5504 B13R1.893 Cc1ccc(c(c1)COC(C)C)C 34a_200011215349_100000210206 [0,1,0,0,0,1|2,0,0]=4 5505 B13R1.893 Cc1ccc(c(c1)COC(C)C)C 7a_200011215349_100000210206 [0,1,0,0,0,1|2,0,0]=4 5506 B13R1.893 Cc1ccc(c(c1)CSC(C)C)C 62a_100000184699_100000210206 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.893 Cc1ccc(c(c1)CSC(C)C)C 62a_100000210206_100000184699 [0,1,0,0,0,1|2,0,0]=4 5508 B13R1.893 Cc1ccc(c(c1)NCC(C)C)C 2230a_100000185781_100000210760 [0,1,0,0,0,1|2,0,0]=4 5509 B13R1.893 Cc1ccc(c(c1)NCC(C)C)C 34a_100000185781_100000210624 [0,1,0,0,0,1|2,0,0]=4 5510 B13R1.893 Cc1ccc(c(c1)NCC(C)C)C 7a_100000185781_100000210760 [0,1,0,0,0,1|2,0,0]=4 5511 B13R1.893 Cc1ccc(c(c1)OCC(C)C)C 34a_100000210931_100000210624 [0,1,0,0,0,1|2,0,0]=4 5512 B13R1.893 Cc1ccc(c(c1)OCC(C)C)C 7a_100000210931_100000210760 [0,1,0,0,0,1|2,0,0]=4 5513 B13R1.893 Cc1ccc(c(c1)SCC(C)C)C 62a_100000210624_100000210833 [0,1,0,0,0,1|2,0,0]=4 5514 B13R1.893 Cc1ccc(c(c1)SCC(C)C)C 62a_100000210833_100000210760 [0,1,0,0,0,1|2,0,0]=4 5515 B13R1.893 Cc1ccc(c(n1)C=CC(C)C)C 271570a_100016257149_100009854376 [0,1,0,0,0,1|1,0,1]=4 5516 B13R1.893 Cc1ccc(c(n1)CNC(C)C)Br 207a_100138425928_100010173661 [0,1,0,0,0,1|2,0,0]=4 5517 B13R1.893 Cc1ccc(c(n1)CNC(C)C)Cl 2230a_100138425928_200009852033 [0,1,0,0,0,1|2,0,0]=4 5518 B13R1.893 Cc1ccc(c(n1)CNC(C)C)Cl 34a_100138425928_200009852033 [0,1,0,0,0,1|2,0,0]=4 5519 B13R1.893 Cc1ccc(c(n1)CNC(C)C)O 2230a_100138425928_100020630696 [0,1,0,0,0,1|2,0,0]=4 5520 B13R1.893 Cc1ccc(c(n1)CNC(C)C)O 34a_100138425928_100020630696 [0,1,0,0,0,1|2,0,0]=4 5521 B13R1.893 Cc1ccc(c(n1)COC(C)C)Br 34a_100010074375_100000210206 [0,1,0,0,0,1|2,0,0]=4 5522 B13R1.893 Cc1ccc(c(n1)COC(C)C)Cl 34a_100000212225_200009852033 [0,1,0,0,0,1|2,0,0]=4 5523 B13R1.893 Cc1ccc(c(n1)COC(C)C)O 34a_100000212225_100020630696 [0,1,0,0,0,1|2,0,0]=4 5524 B13R1.893 Cc1ccc(c(n1)CSC(C)C)Cl 62a_100000210206_200009852033 [0,1,0,0,0,1|2,0,0]=4 5525 B13R1.893 Cc1ccc(c(n1)CSC(C)C)Cl 62a_200009852033_100000210206 [0,1,0,0,0,1|2,0,0]=4 5526 B13R1.893 Cc1ccc(c(n1)CSC(C)C)O 62a_100000210206_100020630696 [0,1,0,0,0,1|2,0,0]=4 5527 B13R1.893 Cc1ccc(c(n1)CSC(C)C)O 62a_100020630696_100000210206 [0,1,0,0,0,1|2,0,0]=4 5528 B13R1.893 Cc1ccc(c(n1)OCC(C)C)Br 34a_100009817604_100000210624 [0,1,0,0,0,1|2,0,0]=4 5529 B13R1.893 Cc1ccc(c(n1)OCC(C)C)N 34a_100000687486_100000210624 [0,1,0,0,0,1|2,0,0]=4 5530 B13R1.893 Cc1ccc(c(n1)SCC(C)C)C 62a_100000210624_100009854376 [0,1,0,0,0,1|1,0,0]=3 5531 B13R1.893 Cc1ccc(c(n1)SCC(C)C)C 62a_100009854376_100000210760 [0,1,0,0,0,1|1,0,0]=3 5532 B13R1.893 Cc1ccc(c(n1)SCC(C)C)F 62a_100000210624_100009817602 [0,1,0,0,0,1|2,0,0]=4 5533 B13R1.893 Cc1ccc(c(n1)SCC(C)C)F 62a_100009817602_100000210760 [0,1,0,0,0,1|2,0,0]=4 5534 B13R1.893 Cc1ccc(c(n1)SCC(C)C)N 62a_100000210624_100000685570 [0,1,0,0,0,1|2,0,0]=4 5535 B13R1.893 Cc1ccc(c(n1)SCC(C)C)N 62a_100000685570_100000210760 [0,1,0,0,0,1|2,0,0]=4 5536 B13R1.893 Cc1ccc(c(n1)SCC(C)C)O 62a_100000210624_100000702858 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.893 Cc1ccc(c(n1)SCC(C)C)O 62a_100000702858_100000210760 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.893 Cc1ccc(c(n1)SCC(C)O)C 62a_100009854376_100011218427 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.893 Cc1ccc(c(n1)SCC(C)O)C 62a_100011218427_100009854376 [0,1,0,0,0,1|2,0,0]=4 5540 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)C 62a_100009817552_100009854376 [0,1,0,0,0,1|2,0,0]=4 5541 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)C 62a_100009854376_100009817552 [0,1,0,0,0,1|2,0,0]=4 5542 B13R1.893 Cc1ccc(cc1CNC(C)C)Br 207a_100138425928_100011361606 [0,1,0,0,0,1|2,0,0]=4 5543 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 207a_100138425928_100011551331 [0,1,0,0,0,1|2,0,0]=4 5544 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 2230a_100138425928_100012186985 [0,1,0,0,0,1|2,0,0]=4 5545 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 34a_100000717755_100000210206 [0,1,0,0,0,1|2,0,0]=4 5546 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 34a_100138425928_100012186985 [0,1,0,0,0,1|2,0,0]=4 5547 B13R1.893 Cc1ccc(cc1CNC(C)C)F 207a_100138425928_100000697687 [0,1,0,0,0,1|2,0,0]=4 5548 B13R1.893 Cc1ccc(cc1CNC(C)C)F 2230a_100138425928_100000709795 [0,1,0,0,0,1|2,0,0]=4 5549 B13R1.893 Cc1ccc(cc1CNC(C)C)F 34a_100011217291_100000210206 [0,1,0,0,0,1|2,0,0]=4 5550 B13R1.893 Cc1ccc(cc1CNC(C)C)F 34a_100138425928_100000709795 [0,1,0,0,0,1|2,0,0]=4 5551 B13R1.893 Cc1ccc(cc1CNC(C)C)O 34a_200009844824_100000210206 [0,1,0,0,0,1|2,0,0]=4 5552 B13R1.893 Cc1ccc(cc1COC(C)C)Br 34a_100000700630_100000210206 [0,1,0,0,0,1|2,0,0]=4 5553 B13R1.893 Cc1ccc(cc1COC(C)C)Br 7a_100000700630_100000210206 [0,1,0,0,0,1|2,0,0]=4 5554 B13R1.893 Cc1ccc(cc1COC(C)C)Cl 34a_100000212225_100012186985 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.893 Cc1ccc(cc1COC(C)C)Cl 34a_100012002407_100000210206 [0,1,0,0,0,1|2,0,0]=4 5556 B13R1.893 Cc1ccc(cc1COC(C)C)Cl 7a_100012002407_100000210206 [0,1,0,0,0,1|2,0,0]=4 5557 B13R1.893 Cc1ccc(cc1COC(C)C)F 34a_100000212225_100000709795 [0,1,0,0,0,1|2,0,0]=4 5558 B13R1.893 Cc1ccc(cc1COC(C)C)F 34a_100011219218_100000210206 [0,1,0,0,0,1|2,0,0]=4 5559 B13R1.893 Cc1ccc(cc1COC(C)C)F 7a_100011219218_100000210206 [0,1,0,0,0,1|2,0,0]=4 5560 B13R1.893 Cc1ccc(cc1COC(C)C)I 34a_100010150140_100000210206 [0,1,0,0,0,1|2,0,0]=4 5561 B13R1.893 Cc1ccc(cc1COC(C)C)I 7a_100010150140_100000210206 [0,1,0,0,0,1|2,0,0]=4 5562 B13R1.893 Cc1ccc(cc1CSC(C)C)Cl 62a_100000210206_100012186985 [0,1,0,0,0,1|2,0,0]=4 5563 B13R1.893 Cc1ccc(cc1CSC(C)C)Cl 62a_100012186985_100000210206 [0,1,0,0,0,1|2,0,0]=4 5564 B13R1.893 Cc1ccc(cc1CSC(C)C)F 62a_100000210206_100000709795 [0,1,0,0,0,1|2,0,0]=4 5565 B13R1.893 Cc1ccc(cc1CSC(C)C)F 62a_100000709795_100000210206 [0,1,0,0,0,1|2,0,0]=4 5566 B13R1.893 Cc1ccc(cc1NCC(C)C)Br 34a_100000741167_100000210624 [0,1,0,0,0,1|2,0,0]=4 5567 B13R1.893 Cc1ccc(cc1NCC(C)C)Br 7a_100000741167_100000210760 [0,1,0,0,0,1|2,0,0]=4 5568 B13R1.893 Cc1ccc(cc1NCC(C)C)Cl 34a_100000211374_100000210624 [0,1,0,0,0,1|2,0,0]=4 5569 B13R1.893 Cc1ccc(cc1NCC(C)C)Cl 7a_100000211374_100000210760 [0,1,0,0,0,1|2,0,0]=4 5570 B13R1.893 Cc1ccc(cc1NCC(C)C)F 34a_100000211107_100000210624 [0,1,0,0,0,1|2,0,0]=4 5571 B13R1.893 Cc1ccc(cc1NCC(C)C)F 7a_100000211107_100000210760 [0,1,0,0,0,1|2,0,0]=4 5572 B13R1.893 Cc1ccc(cc1NCC(C)C)I 7a_100000761890_100000210760 [0,1,0,0,0,1|2,0,0]=4 5573 B13R1.893 Cc1ccc(cc1NCC(C)C)O 34a_100011216113_100000210624 [0,1,0,0,0,1|2,0,0]=4 5574 B13R1.893 Cc1ccc(cc1OCC(C)C)Br 34a_100000685420_100000210624 [0,1,0,0,0,1|2,0,0]=4 5575 B13R1.893 Cc1ccc(cc1OCC(C)C)Br 7a_100000685420_100000210760 [0,1,0,0,0,1|2,0,0]=4 5576 B13R1.893 Cc1ccc(cc1OCC(C)C)Cl 34a_100000756515_100000210624 [0,1,0,0,0,1|2,0,0]=4 5577 B13R1.893 Cc1ccc(cc1OCC(C)C)Cl 7a_100000756515_100000210760 [0,1,0,0,0,1|2,0,0]=4 5578 B13R1.893 Cc1ccc(cc1OCC(C)C)F 34a_100000690566_100000210624 [0,1,0,0,0,1|2,0,0]=4 5579 B13R1.893 Cc1ccc(cc1OCC(C)C)F 7a_100000690566_100000210760 [0,1,0,0,0,1|2,0,0]=4 5580 B13R1.893 Cc1ccc(cc1OCC(C)C)I 7a_100000766334_100000210760 [0,1,0,0,0,1|2,0,0]=4 5581 B13R1.893 Cc1ccc(cc1OCC(C)C)N 34a_100000759471_100000210624 [0,1,0,0,0,1|2,0,0]=4 5582 B13R1.893 Cc1ccc(cc1OCC(C)C)N 7a_100000759471_100000210760 [0,1,0,0,0,1|2,0,0]=4 5583 B13R1.893 Cc1ccc(cc1SCC(C)C)Br 62a_100000210624_100011344865 [0,1,0,0,0,1|2,0,0]=4 5584 B13R1.893 Cc1ccc(cc1SCC(C)C)Br 62a_100011344865_100000210760 [0,1,0,0,0,1|2,0,0]=4 5585 B13R1.893 Cc1ccc(cc1SCC(C)C)Cl 62a_100000210624_100011263213 [0,1,0,0,0,1|2,0,0]=4 5586 B13R1.893 Cc1ccc(cc1SCC(C)C)Cl 62a_100011263213_100000210760 [0,1,0,0,0,1|2,0,0]=4 5587 B13R1.893 Cc1ccc(cc1SCC(C)C)F 62a_100000210624_100011218078 [0,1,0,0,0,1|2,0,0]=4 5588 B13R1.893 Cc1ccc(cc1SCC(C)C)F 62a_100011218078_100000210760 [0,1,0,0,0,1|2,0,0]=4 5589 B13R1.893 Cc1ccc(cc1SCC(C)C)N 62a_100000210624_100000736455 [0,1,0,0,0,1|2,0,0]=4 5590 B13R1.893 Cc1ccc(cc1SCC(C)C)N 62a_100000736455_100000210760 [0,1,0,0,0,1|2,0,0]=4 5591 B13R1.893 Cc1ccc(cc1SCC(C)C)O 62a_100000210624_100011380479 [0,1,0,0,0,1|2,0,0]=4 5592 B13R1.893 Cc1ccc(cc1SCC(C)C)O 62a_100011380479_100000210760 [0,1,0,0,0,1|2,0,0]=4 5593 B13R1.893 Cc1ccc(nc1C=CC(C)C)N 271570a_100016257149_100000126722 [0,1,0,0,0,1|1,0,1]=4 5594 B13R1.893 Cc1ccc(nc1SCC(C)C)N 62a_100000126722_100000210760 [0,1,0,0,0,1|1,0,0]=3 5595 B13R1.893 Cc1ccc(nc1SCC(C)C)N 62a_100000210624_100000126722 [0,1,0,0,0,1|1,0,0]=3 5596 B13R1.893 Cc1ccc(nc1SCC(C)O)N 62a_100000126722_100011218427 [0,1,0,0,0,1|2,0,0]=4 5597 B13R1.893 Cc1ccc(nc1SCC(C)O)N 62a_100011218427_100000126722 [0,1,0,0,0,1|2,0,0]=4 5598 B13R1.893 Cc1ccc(nc1SC[C@@H](C)O)N 62a_100000126722_100009817552 [0,1,0,0,0,1|2,0,0]=4 5599 B13R1.893 Cc1ccc(nc1SC[C@@H](C)O)N 62a_100009817552_100000126722 [0,1,0,0,0,1|2,0,0]=4 5600 B13R1.893 Cc1cnc(c(c1)C=CC(C)C)C 271570a_100016257149_100009817436 [0,1,0,0,0,1|1,0,1]=4 5601 B13R1.893 Cc1cnc(c(c1)CNC(C)C)Cl 207a_100138425928_100000050350 [0,1,0,0,0,1|2,0,0]=4 5602 B13R1.893 Cc1cnc(c(c1)CNC(C)C)F 207a_100138425928_100009854360 [0,1,0,0,0,1|2,0,0]=4 5603 B13R1.893 Cc1cnc(c(c1)COC(C)C)Cl 34a_100000118064_100000210206 [0,1,0,0,0,1|2,0,0]=4 5604 B13R1.893 Cc1cnc(c(c1)COC(C)C)Cl 7a_100000118064_100000210206 [0,1,0,0,0,1|2,0,0]=4 5605 B13R1.893 Cc1cnc(c(c1)NCC(C)C)F 27a_100000210953_100009820679 [0,1,0,0,0,1|2,0,0]=4 5606 B13R1.893 Cc1cnc(c(c1)OCC(C)C)Cl 34a_100012000487_100000210624 [0,1,0,0,0,1|2,0,0]=4 5607 B13R1.893 Cc1cnc(c(c1)OCC(C)C)Cl 7a_100012000487_100000210760 [0,1,0,0,0,1|2,0,0]=4 5608 B13R1.893 Cc1cnc(c(c1)OCC(C)C)F 34a_100009849810_100000210624 [0,1,0,0,0,1|2,0,0]=4 5609 B13R1.893 Cc1cnc(c(c1)OCC(C)C)F 7a_100009849810_100000210760 [0,1,0,0,0,1|2,0,0]=4 5610 B13R1.893 Cc1cnc(c(c1)SCC(C)C)C 62a_100000210624_100009817436 [0,1,0,0,0,1|1,0,0]=3 5611 B13R1.893 Cc1cnc(c(c1)SCC(C)C)C 62a_100009817436_100000210760 [0,1,0,0,0,1|1,0,0]=3 5612 B13R1.893 Cc1cnc(c(c1)SCC(C)C)Cl 62a_100000210624_100010210167 [0,1,0,0,0,1|2,0,0]=4 5613 B13R1.893 Cc1cnc(c(c1)SCC(C)C)Cl 62a_100010210167_100000210760 [0,1,0,0,0,1|2,0,0]=4 5614 B13R1.893 Cc1cnc(c(c1)SCC(C)C)F 62a_100000049784_100000210760 [0,1,0,0,0,1|2,0,0]=4 5615 B13R1.893 Cc1cnc(c(c1)SCC(C)C)F 62a_100000210624_100000049784 [0,1,0,0,0,1|2,0,0]=4 5616 B13R1.893 Cc1cnc(c(c1)SCC(C)C)N 62a_100000049664_100000210760 [0,1,0,0,0,1|2,0,0]=4 5617 B13R1.893 Cc1cnc(c(c1)SCC(C)C)N 62a_100000210624_100000049664 [0,1,0,0,0,1|2,0,0]=4 5618 B13R1.893 Cc1cnc(c(c1)SCC(C)C)O 62a_100000210624_100000719714 [0,1,0,0,0,1|2,0,0]=4 5619 B13R1.893 Cc1cnc(c(c1)SCC(C)C)O 62a_100000719714_100000210760 [0,1,0,0,0,1|2,0,0]=4 5620 B13R1.893 Cc1cnc(c(c1)SCC(C)O)C 62a_100009817436_100011218427 [0,1,0,0,0,1|2,0,0]=4 5621 B13R1.893 Cc1cnc(c(c1)SCC(C)O)C 62a_100011218427_100009817436 [0,1,0,0,0,1|2,0,0]=4 5622 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)C 62a_100009817436_100009817552 [0,1,0,0,0,1|2,0,0]=4 5623 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)C 62a_100009817552_100009817436 [0,1,0,0,0,1|2,0,0]=4 5624 B13R1.893 Cc1cnc(c(n1)C=CC(C)C)C 271570a_100016257149_100000211308 [0,1,0,0,0,1|0,0,1]=3 5625 B13R1.893 Cc1cnc(c(n1)C=CC(C)C)N 271570a_100016257149_100009819049 [0,1,0,0,0,1|1,0,1]=4 5626 B13R1.893 Cc1cnc(c(n1)C=CC(C)O)C 271570a_200011019289_100000211308 [0,1,0,0,0,1|1,0,1]=4 5627 B13R1.893 Cc1cnc(c(n1)NCC(C)C)C 27a_100000210953_100000211308 [0,1,0,0,0,1|0,0,0]=2 5628 B13R1.893 Cc1cnc(c(n1)NCC(C)O)C 27a_100000210904_100000211308 [0,1,0,0,0,1|1,0,0]=3 5629 B13R1.893 Cc1cnc(c(n1)NCC(F)F)C 27a_100000765723_100000211308 [0,1,0,0,0,1|2,0,0]=4 5630 B13R1.893 Cc1cnc(c(n1)SCC(C)C)C 62a_100000210624_100000211308 [0,1,0,0,0,1|0,0,0]=2 5631 B13R1.893 Cc1cnc(c(n1)SCC(C)C)C 62a_100000211308_100000210760 [0,1,0,0,0,1|0,0,0]=2 5632 B13R1.893 Cc1cnc(c(n1)SCC(C)C)N 62a_100000210624_100009819049 [0,1,0,0,0,1|1,0,0]=3 5633 B13R1.893 Cc1cnc(c(n1)SCC(C)C)N 62a_100009819049_100000210760 [0,1,0,0,0,1|1,0,0]=3 5634 B13R1.893 Cc1cnc(c(n1)SCC(C)O)C 62a_100000211308_100011218427 [0,1,0,0,0,1|1,0,0]=3 5635 B13R1.893 Cc1cnc(c(n1)SCC(C)O)C 62a_100011218427_100000211308 [0,1,0,0,0,1|1,0,0]=3 5636 B13R1.893 Cc1cnc(c(n1)SCC(C)O)N 62a_100009819049_100011218427 [0,1,0,0,0,1|2,0,0]=4 5637 B13R1.893 Cc1cnc(c(n1)SCC(C)O)N 62a_100011218427_100009819049 [0,1,0,0,0,1|2,0,0]=4 5638 B13R1.893 Cc1cnc(c(n1)SCC(F)F)C 62a_100000211308_100011934356 [0,1,0,0,0,1|2,0,0]=4 5639 B13R1.893 Cc1cnc(c(n1)SCC(F)F)C 62a_100011934356_100000211308 [0,1,0,0,0,1|2,0,0]=4 5640 B13R1.893 Cc1cnc(c(n1)SC[C@@H](C)O)C 62a_100000211308_100009817552 [0,1,0,0,0,1|1,0,0]=3 5641 B13R1.893 Cc1cnc(c(n1)SC[C@@H](C)O)C 62a_100009817552_100000211308 [0,1,0,0,0,1|1,0,0]=3 5642 B13R1.893 Cc1cnc(c(n1)SC[C@@H](C)O)N 62a_100009817552_100009819049 [0,1,0,0,0,1|2,0,0]=4 5643 B13R1.893 Cc1cnc(c(n1)SC[C@@H](C)O)N 62a_100009819049_100009817552 [0,1,0,0,0,1|2,0,0]=4 5644 B13R1.893 Cc1cnc(nc1NCC(C)C)N 27a_100000210953_100000016107 [0,1,0,0,0,1|2,0,0]=4 5645 B13R1.893 Cc1cnc(nc1SCC(C)C)N 62a_100000016107_100000210760 [0,1,0,0,0,1|2,0,0]=4 5646 B13R1.893 Cc1cnc(nc1SCC(C)C)N 62a_100000210624_100000016107 [0,1,0,0,0,1|2,0,0]=4 5647 B13R1.893 Cc1ncc(cc1C=CC(C)C)Br 271570a_100016257149_200010090566 [0,1,0,0,0,1|1,0,1]=4 5648 B13R1.893 Cc1ncc(cc1C=CC(C)C)F 271570a_100016257149_100009860710 [0,1,0,0,0,1|1,0,1]=4 5649 B13R1.893 Cc1ncc(cc1C=CC(C)C)N 271570a_100016257149_100011998591 [0,1,0,0,0,1|1,0,1]=4 5650 B13R1.893 Cc1ncc(cc1C=CC(C)C)O 271570a_100016257149_100009819603 [0,1,0,0,0,1|1,0,1]=4 5651 B13R1.893 Cc1ncc(cc1CNC(C)C)Cl 207a_100138425928_100000100030 [0,1,0,0,0,1|1,0,0]=3 5652 B13R1.893 Cc1ncc(cc1COC(C)C)Br 34a_100010894652_100000210206 [0,1,0,0,0,1|1,0,0]=3 5653 B13R1.893 Cc1ncc(cc1COC(C)C)Br 7a_100010894652_100000210206 [0,1,0,0,0,1|1,0,0]=3 5654 B13R1.893 Cc1ncc(cc1OCC(C)C)Br 34a_100009864810_100000210624 [0,1,0,0,0,1|1,0,0]=3 5655 B13R1.893 Cc1ncc(cc1OCC(C)C)Br 7a_100009864810_100000210760 [0,1,0,0,0,1|1,0,0]=3 5656 B13R1.893 Cc1ncc(cc1OCC(C)O)Br 34a_100009864810_100011218427 [0,1,0,0,0,1|2,0,0]=4 5657 B13R1.893 Cc1ncc(cc1OCC(C)O)Br 7a_100009864810_100011218427 [0,1,0,0,0,1|2,0,0]=4 5658 B13R1.893 Cc1ncc(cc1OC[C@@H](C)O)Br 34a_100009864810_100009817552 [0,1,0,0,0,1|2,0,0]=4 5659 B13R1.893 Cc1ncc(cc1OC[C@@H](C)O)Br 7a_100009864810_100009817552 [0,1,0,0,0,1|2,0,0]=4 5660 B13R1.893 Cc1ncc(cc1SCC(C)C)Br 62a_100000210624_200010090566 [0,1,0,0,0,1|1,0,0]=3 5661 B13R1.893 Cc1ncc(cc1SCC(C)C)Br 62a_200010090566_100000210760 [0,1,0,0,0,1|1,0,0]=3 5662 B13R1.893 Cc1ncc(cc1SCC(C)C)F 62a_100000210624_100009860710 [0,1,0,0,0,1|1,0,0]=3 5663 B13R1.893 Cc1ncc(cc1SCC(C)C)F 62a_100009860710_100000210760 [0,1,0,0,0,1|1,0,0]=3 5664 B13R1.893 Cc1ncc(cc1SCC(C)C)N 62a_100000210624_100011998591 [0,1,0,0,0,1|1,0,0]=3 5665 B13R1.893 Cc1ncc(cc1SCC(C)C)N 62a_100011998591_100000210760 [0,1,0,0,0,1|1,0,0]=3 5666 B13R1.893 Cc1ncc(cc1SCC(C)C)O 62a_100000210624_100009819603 [0,1,0,0,0,1|1,0,0]=3 5667 B13R1.893 Cc1ncc(cc1SCC(C)C)O 62a_100009819603_100000210760 [0,1,0,0,0,1|1,0,0]=3 5668 B13R1.893 Cc1ncc(cc1SCC(C)O)Br 62a_100011218427_200010090566 [0,1,0,0,0,1|2,0,0]=4 5669 B13R1.893 Cc1ncc(cc1SCC(C)O)Br 62a_200010090566_100011218427 [0,1,0,0,0,1|2,0,0]=4 5670 B13R1.893 Cc1ncc(cc1SCC(C)O)F 62a_100009860710_100011218427 [0,1,0,0,0,1|2,0,0]=4 5671 B13R1.893 Cc1ncc(cc1SCC(C)O)F 62a_100011218427_100009860710 [0,1,0,0,0,1|2,0,0]=4 5672 B13R1.893 Cc1ncc(cc1SCC(C)O)N 62a_100011218427_100011998591 [0,1,0,0,0,1|2,0,0]=4 5673 B13R1.893 Cc1ncc(cc1SCC(C)O)N 62a_100011998591_100011218427 [0,1,0,0,0,1|2,0,0]=4 5674 B13R1.893 Cc1ncc(cc1SCC(C)O)O 62a_100009819603_100011218427 [0,1,0,0,0,1|2,0,0]=4 5675 B13R1.893 Cc1ncc(cc1SCC(C)O)O 62a_100011218427_100009819603 [0,1,0,0,0,1|2,0,0]=4 5676 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)Br 62a_100009817552_200010090566 [0,1,0,0,0,1|2,0,0]=4 5677 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)Br 62a_200010090566_100009817552 [0,1,0,0,0,1|2,0,0]=4 5678 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)F 62a_100009817552_100009860710 [0,1,0,0,0,1|2,0,0]=4 5679 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)F 62a_100009860710_100009817552 [0,1,0,0,0,1|2,0,0]=4 5680 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)N 62a_100009817552_100011998591 [0,1,0,0,0,1|2,0,0]=4 5681 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)N 62a_100011998591_100009817552 [0,1,0,0,0,1|2,0,0]=4 5682 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)O 62a_100009817552_100009819603 [0,1,0,0,0,1|2,0,0]=4 5683 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)O 62a_100009819603_100009817552 [0,1,0,0,0,1|2,0,0]=4 5684 B13R1.893 Cc1ncc(nc1C=CC(C)C)N 271570a_100016257149_100009877824 [0,1,0,0,0,1|0,0,1]=3 5685 B13R1.893 Cc1ncc(nc1C=CC(C)O)N 271570a_200011019289_100009877824 [0,1,0,0,0,1|1,0,1]=4 5686 B13R1.893 Cc1ncc(nc1SCC(C)C)N 62a_100000210624_100009877824 [0,1,0,0,0,1|0,0,0]=2 5687 B13R1.893 Cc1ncc(nc1SCC(C)C)N 62a_100009877824_100000210760 [0,1,0,0,0,1|0,0,0]=2 5688 B13R1.893 Cc1ncc(nc1SCC(C)O)N 62a_100009877824_100011218427 [0,1,0,0,0,1|1,0,0]=3 5689 B13R1.893 Cc1ncc(nc1SCC(C)O)N 62a_100011218427_100009877824 [0,1,0,0,0,1|1,0,0]=3 5690 B13R1.893 Cc1ncc(nc1SCC(F)F)N 62a_100009877824_100011934356 [0,1,0,0,0,1|2,0,0]=4 5691 B13R1.893 Cc1ncc(nc1SCC(F)F)N 62a_100011934356_100009877824 [0,1,0,0,0,1|2,0,0]=4 5692 B13R1.893 Cc1ncc(nc1SC[C@@H](C)O)N 62a_100009817552_100009877824 [0,1,0,0,0,1|1,0,0]=3 5693 B13R1.893 Cc1ncc(nc1SC[C@@H](C)O)N 62a_100009877824_100009817552 [0,1,0,0,0,1|1,0,0]=3 5694 B13R1.3787 CC(C)CNc1c(ccnc1F)F 27a_100000210953_100009874084 [0,1,0,0,0,1|2,0,0]=4 5695 B13R1.3787 CC(C)COc1c(ccnc1Cl)Cl 34a_100000118450_100000210624 [0,1,0,0,0,1|2,0,0]=4 5696 B13R1.3787 CC(C)COc1c(ccnc1Cl)Cl 7a_100000118450_100000210760 [0,1,0,0,0,1|2,0,0]=4 5697 B13R1.3787 CC(C)COc1c(ccnc1Cl)F 34a_100009867227_100000210624 [0,1,0,0,0,1|2,0,0]=4 5698 B13R1.3787 CC(C)COc1c(ccnc1Cl)F 7a_100009867227_100000210760 [0,1,0,0,0,1|2,0,0]=4 5699 B13R1.3787 CC(C)COc1c(ccnc1Cl)I 34a_100010067911_100000210624 [0,1,0,0,0,1|2,0,0]=4 5700 B13R1.3787 CC(C)COc1c(ccnc1Cl)I 7a_100010067911_100000210760 [0,1,0,0,0,1|2,0,0]=4 5701 B13R1.3787 CC(C)COc1c(ccnc1Cl)N 34a_100009844647_100000210624 [0,1,0,0,0,1|2,0,0]=4 5702 B13R1.3787 CC(C)COc1c(ccnc1Cl)N 7a_100009844647_100000210760 [0,1,0,0,0,1|2,0,0]=4 5703 B13R1.3787 CC(C)CSc1c(ccnc1Cl)Br 62a_100000210624_100009814607 [0,1,0,0,0,1|2,0,0]=4 5704 B13R1.3787 CC(C)CSc1c(ccnc1Cl)Br 62a_100009814607_100000210760 [0,1,0,0,0,1|2,0,0]=4 5705 B13R1.3787 CC(C)CSc1c(ccnc1Cl)Cl 62a_100000050019_100000210760 [0,1,0,0,0,1|2,0,0]=4 5706 B13R1.3787 CC(C)CSc1c(ccnc1Cl)Cl 62a_100000210624_100000050019 [0,1,0,0,0,1|2,0,0]=4 5707 B13R1.3787 CC(C)CSc1c(ccnc1Cl)F 62a_100000210624_100000716511 [0,1,0,0,0,1|2,0,0]=4 5708 B13R1.3787 CC(C)CSc1c(ccnc1Cl)F 62a_100000716511_100000210760 [0,1,0,0,0,1|2,0,0]=4 5709 B13R1.3787 CC(C)CSc1c(ccnc1Cl)N 62a_100000210624_100010208016 [0,1,0,0,0,1|2,0,0]=4 5710 B13R1.3787 CC(C)CSc1c(ccnc1Cl)N 62a_100010208016_100000210760 [0,1,0,0,0,1|2,0,0]=4 5711 B13R1.3787 CC(C)CSc1c(ccnc1F)F 62a_100000210624_100009874084 [0,1,0,0,0,1|2,0,0]=4 5712 B13R1.3787 CC(C)CSc1c(ccnc1F)F 62a_100009874084_100000210760 [0,1,0,0,0,1|2,0,0]=4 5713 B13R1.3787 CC(C)CSc1c(ccnc1F)N 62a_100000210624_100010381272 [0,1,0,0,0,1|2,0,0]=4 5714 B13R1.3787 CC(C)CSc1c(ccnc1F)N 62a_100010381272_100000210760 [0,1,0,0,0,1|2,0,0]=4 5715 B13R1.3787 CC(C)CSc1c(ccnc1N)Cl 62a_100000210624_100010199028 [0,1,0,0,0,1|2,0,0]=4 5716 B13R1.3787 CC(C)CSc1c(ccnc1N)Cl 62a_100010199028_100000210760 [0,1,0,0,0,1|2,0,0]=4 5717 B13R1.3787 CC(C)CSc1c(ccnc1O)O 62a_100000210624_200009817435 [0,1,0,0,0,1|2,0,0]=4 5718 B13R1.3787 CC(C)OCc1c(ccnc1Br)Br 34a_200015784018_100000210206 [0,1,0,0,0,1|2,0,0]=4 5719 B13R1.3787 CC(C)OCc1c(ccnc1Br)Br 7a_200015784018_100000210206 [0,1,0,0,0,1|2,0,0]=4 5720 B13R1.3787 CC(C)OCc1c(ccnc1Cl)Cl 34a_200009882739_100000210206 [0,1,0,0,0,1|2,0,0]=4 5721 B13R1.3787 CC(C)OCc1c(ccnc1Cl)Cl 7a_200009882739_100000210206 [0,1,0,0,0,1|2,0,0]=4 5722 B13R1.3787 CC(C)OCc1c(ccnc1Cl)I 7a_100000047008_100000210206 [0,1,0,0,0,1|2,0,0]=4 5723 B13R1.3787 CC(C)OCc1c(ccnc1F)I 34a_100000050056_100000210206 [0,1,0,0,0,1|2,0,0]=4 5724 B13R1.3787 CC(C)OCc1c(ccnc1F)I 7a_100000050056_100000210206 [0,1,0,0,0,1|2,0,0]=4 5725 B13R1.3787 Cc1ccc[n+](c1SCC(C)C)[O-] 62a_100000210624_100116209805 [0,1,0,0,0,1|1,0,1]=4 5726 B13R1.3787 Cc1cccc(c1CNC(C)C)Br 207a_100138425928_100009881667 [0,1,0,0,0,1|2,0,0]=4 5727 B13R1.3787 Cc1cccc(c1CNC(C)C)Br 2230a_100138425928_100010146847 [0,1,0,0,0,1|2,0,0]=4 5728 B13R1.3787 Cc1cccc(c1CNC(C)C)Br 34a_100138425928_100010146847 [0,1,0,0,0,1|2,0,0]=4 5729 B13R1.3787 Cc1cccc(c1CNC(C)C)C 207a_100138425928_100000758299 [0,1,0,0,0,1|2,0,0]=4 5730 B13R1.3787 Cc1cccc(c1CNC(C)C)C 2230a_100138425928_100000758300 [0,1,0,0,0,1|2,0,0]=4 5731 B13R1.3787 Cc1cccc(c1CNC(C)C)C 34a_100000689800_100000210206 [0,1,0,0,0,1|2,0,0]=4 5732 B13R1.3787 Cc1cccc(c1CNC(C)C)C 34a_100138425928_100000758300 [0,1,0,0,0,1|2,0,0]=4 5733 B13R1.3787 Cc1cccc(c1CNC(C)C)Cl 207a_100138425928_100000041122 [0,1,0,0,0,1|2,0,0]=4 5734 B13R1.3787 Cc1cccc(c1CNC(C)C)F 207a_100138425928_100000069827 [0,1,0,0,0,1|2,0,0]=4 5735 B13R1.3787 Cc1cccc(c1CNC(C)C)F 2230a_100138425928_100009814554 [0,1,0,0,0,1|2,0,0]=4 5736 B13R1.3787 Cc1cccc(c1CNC(C)C)F 34a_100000762012_100000210206 [0,1,0,0,0,1|2,0,0]=4 5737 B13R1.3787 Cc1cccc(c1CNC(C)C)F 34a_100138425928_100009814554 [0,1,0,0,0,1|2,0,0]=4 5738 B13R1.3787 Cc1cccc(c1CNC(C)C)I 2230a_100138425928_100010150146 [0,1,0,0,0,1|2,0,0]=4 5739 B13R1.3787 Cc1cccc(c1CNC(C)C)I 34a_100138425928_100010150146 [0,1,0,0,0,1|2,0,0]=4 5740 B13R1.3787 Cc1cccc(c1COC(C)C)Br 34a_100000212225_100010146847 [0,1,0,0,0,1|2,0,0]=4 5741 B13R1.3787 Cc1cccc(c1COC(C)C)C 34a_100000212225_100000758300 [0,1,0,0,0,1|2,0,0]=4 5742 B13R1.3787 Cc1cccc(c1COC(C)C)C 34a_100011933981_100000210206 [0,1,0,0,0,1|2,0,0]=4 5743 B13R1.3787 Cc1cccc(c1COC(C)C)C 7a_100011933981_100000210206 [0,1,0,0,0,1|2,0,0]=4 5744 B13R1.3787 Cc1cccc(c1COC(C)C)Cl 34a_100000082531_100000210206 [0,1,0,0,0,1|2,0,0]=4 5745 B13R1.3787 Cc1cccc(c1COC(C)C)Cl 7a_100000082531_100000210206 [0,1,0,0,0,1|2,0,0]=4 5746 B13R1.3787 Cc1cccc(c1COC(C)C)F 34a_100000057874_100000210206 [0,1,0,0,0,1|2,0,0]=4 5747 B13R1.3787 Cc1cccc(c1COC(C)C)F 34a_100000212225_100009814554 [0,1,0,0,0,1|2,0,0]=4 5748 B13R1.3787 Cc1cccc(c1COC(C)C)F 7a_100000057874_100000210206 [0,1,0,0,0,1|2,0,0]=4 5749 B13R1.3787 Cc1cccc(c1COC(C)C)I 34a_100000212225_100010150146 [0,1,0,0,0,1|2,0,0]=4 5750 B13R1.3787 Cc1cccc(c1CSC(C)C)Br 62a_100000210206_100010146847 [0,1,0,0,0,1|2,0,0]=4 5751 B13R1.3787 Cc1cccc(c1CSC(C)C)Br 62a_100010146847_100000210206 [0,1,0,0,0,1|2,0,0]=4 5752 B13R1.3787 Cc1cccc(c1CSC(C)C)C 62a_100000210206_100000758300 [0,1,0,0,0,1|2,0,0]=4 5753 B13R1.3787 Cc1cccc(c1CSC(C)C)C 62a_100000758300_100000210206 [0,1,0,0,0,1|2,0,0]=4 5754 B13R1.3787 Cc1cccc(c1CSC(C)C)F 62a_100000210206_100009814554 [0,1,0,0,0,1|2,0,0]=4 5755 B13R1.3787 Cc1cccc(c1CSC(C)C)F 62a_100009814554_100000210206 [0,1,0,0,0,1|2,0,0]=4 5756 B13R1.3787 Cc1cccc(c1CSC(C)C)I 62a_100000210206_100010150146 [0,1,0,0,0,1|2,0,0]=4 5757 B13R1.3787 Cc1cccc(c1CSC(C)C)I 62a_100010150146_100000210206 [0,1,0,0,0,1|2,0,0]=4 5758 B13R1.3787 Cc1cccc(c1NCC(C)C)Br 34a_100011834072_100000210624 [0,1,0,0,0,1|2,0,0]=4 5759 B13R1.3787 Cc1cccc(c1NCC(C)C)C 34a_100000185769_100000210624 [0,1,0,0,0,1|2,0,0]=4 5760 B13R1.3787 Cc1cccc(c1NCC(C)C)Cl 34a_100000756524_100000210624 [0,1,0,0,0,1|2,0,0]=4 5761 B13R1.3787 Cc1cccc(c1NCC(C)C)F 34a_100000766463_100000210624 [0,1,0,0,0,1|2,0,0]=4 5762 B13R1.3787 Cc1cccc(c1NCC(C)C)O 34a_100000743429_100000210624 [0,1,0,0,0,1|2,0,0]=4 5763 B13R1.3787 Cc1cccc(c1OCC(C)C)Br 34a_100009817157_100000210624 [0,1,0,0,0,1|2,0,0]=4 5764 B13R1.3787 Cc1cccc(c1OCC(C)C)Br 7a_100009817157_100000210760 [0,1,0,0,0,1|2,0,0]=4 5765 B13R1.3787 Cc1cccc(c1OCC(C)C)C 34a_100000210341_100000210624 [0,1,0,0,0,1|2,0,0]=4 5766 B13R1.3787 Cc1cccc(c1OCC(C)C)C 7a_100000210341_100000210760 [0,1,0,0,0,1|2,0,0]=4 5767 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 34a_100000033731_100000210624 [0,1,0,0,0,1|2,0,0]=4 5768 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 7a_100000033731_100000210760 [0,1,0,0,0,1|2,0,0]=4 5769 B13R1.3787 Cc1cccc(c1OCC(C)C)F 34a_100011659162_100000210624 [0,1,0,0,0,1|2,0,0]=4 5770 B13R1.3787 Cc1cccc(c1OCC(C)C)F 7a_100011659162_100000210760 [0,1,0,0,0,1|2,0,0]=4 5771 B13R1.3787 Cc1cccc(c1OCC(C)C)N 34a_100000756359_100000210624 [0,1,0,0,0,1|2,0,0]=4 5772 B13R1.3787 Cc1cccc(c1OCC(C)C)N 7a_100000756359_100000210760 [0,1,0,0,0,1|2,0,0]=4 5773 B13R1.3787 Cc1cccc(c1SCC(C)C)Br 62a_100000210624_100010141302 [0,1,0,0,0,1|2,0,0]=4 5774 B13R1.3787 Cc1cccc(c1SCC(C)C)Br 62a_100010141302_100000210760 [0,1,0,0,0,1|2,0,0]=4 5775 B13R1.3787 Cc1cccc(c1SCC(C)C)C 62a_100000033847_100000210760 [0,1,0,0,0,1|2,0,0]=4 5776 B13R1.3787 Cc1cccc(c1SCC(C)C)C 62a_100000210624_100000033847 [0,1,0,0,0,1|2,0,0]=4 5777 B13R1.3787 Cc1cccc(c1SCC(C)C)Cl 62a_100000043165_100000210760 [0,1,0,0,0,1|2,0,0]=4 5778 B13R1.3787 Cc1cccc(c1SCC(C)C)Cl 62a_100000210624_100000043165 [0,1,0,0,0,1|2,0,0]=4 5779 B13R1.3787 Cc1cccc(c1SCC(C)C)F 62a_100000210624_100011218421 [0,1,0,0,0,1|2,0,0]=4 5780 B13R1.3787 Cc1cccc(c1SCC(C)C)F 62a_100011218421_100000210760 [0,1,0,0,0,1|2,0,0]=4 5781 B13R1.3787 Cc1cccc(c1SCC(C)C)N 62a_100000210624_100000684715 [0,1,0,0,0,1|2,0,0]=4 5782 B13R1.3787 Cc1cccc(c1SCC(C)C)N 62a_100000684715_100000210760 [0,1,0,0,0,1|2,0,0]=4 5783 B13R1.3787 Cc1cccc(c1SCC(C)C)O 62a_100000210624_100000686692 [0,1,0,0,0,1|2,0,0]=4 5784 B13R1.3787 Cc1cccc(c1SCC(C)C)O 62a_100000686692_100000210760 [0,1,0,0,0,1|2,0,0]=4 5785 B13R1.3787 Cc1ccnc(c1C=CC(C)C)C 271570a_100016257149_100012000501 [0,1,0,0,0,1|1,0,1]=4 5786 B13R1.3787 Cc1ccnc(c1CNC(C)C)F 207a_100138425928_100000087869 [0,1,0,0,0,1|2,0,0]=4 5787 B13R1.3787 Cc1ccnc(c1NCC(C)C)F 27a_100000210953_100009818256 [0,1,0,0,0,1|2,0,0]=4 5788 B13R1.3787 Cc1ccnc(c1OCC(C)C)C 34a_100011934651_100000210624 [0,1,0,0,0,1|1,0,0]=3 5789 B13R1.3787 Cc1ccnc(c1OCC(C)C)C 7a_100011934651_100000210760 [0,1,0,0,0,1|1,0,0]=3 5790 B13R1.3787 Cc1ccnc(c1OCC(C)C)Cl 34a_100000696282_100000210624 [0,1,0,0,0,1|2,0,0]=4 5791 B13R1.3787 Cc1ccnc(c1OCC(C)C)Cl 7a_100000696282_100000210760 [0,1,0,0,0,1|2,0,0]=4 5792 B13R1.3787 Cc1ccnc(c1OCC(C)O)C 34a_100011934651_100011218427 [0,1,0,0,0,1|2,0,0]=4 5793 B13R1.3787 Cc1ccnc(c1OCC(C)O)C 7a_100011934651_100011218427 [0,1,0,0,0,1|2,0,0]=4 5794 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)C 34a_100011934651_100009817552 [0,1,0,0,0,1|2,0,0]=4 5795 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)C 7a_100011934651_100009817552 [0,1,0,0,0,1|2,0,0]=4 5796 B13R1.3787 Cc1ccnc(c1SCC(C)C)C 62a_100000210624_100012000501 [0,1,0,0,0,1|1,0,0]=3 5797 B13R1.3787 Cc1ccnc(c1SCC(C)C)C 62a_100012000501_100000210760 [0,1,0,0,0,1|1,0,0]=3 5798 B13R1.3787 Cc1ccnc(c1SCC(C)C)Cl 62a_100000210624_100010248874 [0,1,0,0,0,1|2,0,0]=4 5799 B13R1.3787 Cc1ccnc(c1SCC(C)C)Cl 62a_100010248874_100000210760 [0,1,0,0,0,1|2,0,0]=4 5800 B13R1.3787 Cc1ccnc(c1SCC(C)C)F 62a_100000210624_100009818256 [0,1,0,0,0,1|2,0,0]=4 5801 B13R1.3787 Cc1ccnc(c1SCC(C)C)F 62a_100009818256_100000210760 [0,1,0,0,0,1|2,0,0]=4 5802 B13R1.3787 Cc1ccnc(c1SCC(C)C)N 62a_100000210624_100011998619 [0,1,0,0,0,1|2,0,0]=4 5803 B13R1.3787 Cc1ccnc(c1SCC(C)C)N 62a_100011998619_100000210760 [0,1,0,0,0,1|2,0,0]=4 5804 B13R1.3787 Cc1ccnc(c1SCC(C)C)O 62a_100000210624_100012000493 [0,1,0,0,0,1|2,0,0]=4 5805 B13R1.3787 Cc1ccnc(c1SCC(C)C)O 62a_100012000493_100000210760 [0,1,0,0,0,1|2,0,0]=4 5806 B13R1.3787 Cc1ccnc(c1SCC(C)O)C 62a_100011218427_100012000501 [0,1,0,0,0,1|2,0,0]=4 5807 B13R1.3787 Cc1ccnc(c1SCC(C)O)C 62a_100012000501_100011218427 [0,1,0,0,0,1|2,0,0]=4 5808 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)C 62a_100009817552_100012000501 [0,1,0,0,0,1|2,0,0]=4 5809 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)C 62a_100012000501_100009817552 [0,1,0,0,0,1|2,0,0]=4 5810 B13R1.3787 Cc1nc[nH]c(=O)c1SCC(C)C 62a_100000210624_100011356812 [0,1,0,0,0,1|2,0,0]=4 5811 B13R1.3787 Cc1nc[nH]c(=O)c1SCC(C)C 62a_100011356812_100000210760 [0,1,0,0,0,1|2,0,0]=4 5812 B13R1.3787 Cc1nccc(c1C=CC(C)C)N 271570a_100016257149_100010243816 [0,1,0,0,0,1|1,0,1]=4 5813 B13R1.3787 Cc1nccc(c1SCC(C)C)N 62a_100000210624_100010243816 [0,1,0,0,0,1|1,0,0]=3 5814 B13R1.3787 Cc1nccc(c1SCC(C)C)N 62a_100010243816_100000210760 [0,1,0,0,0,1|1,0,0]=3 5815 B13R1.3787 Cc1nccc(c1SCC(C)O)N 62a_100010243816_100011218427 [0,1,0,0,0,1|2,0,0]=4 5816 B13R1.3787 Cc1nccc(c1SCC(C)O)N 62a_100011218427_100010243816 [0,1,0,0,0,1|2,0,0]=4 5817 B13R1.3787 Cc1nccc(c1SC[C@@H](C)O)N 62a_100009817552_100010243816 [0,1,0,0,0,1|2,0,0]=4 5818 B13R1.3787 Cc1nccc(c1SC[C@@H](C)O)N 62a_100010243816_100009817552 [0,1,0,0,0,1|2,0,0]=4 5819 B13R1.3787 Cc1ncnc(c1NCC(C)C)C 27a_100000210953_100009820708 [0,1,0,0,0,1|2,0,0]=4 5820 B13R1.3787 Cc1ncnc(c1OCC(C)C)C 34a_100009878406_100000210624 [0,1,0,0,0,1|2,0,0]=4 5821 B13R1.3787 Cc1ncnc(c1OCC(C)C)C 7a_100009878406_100000210760 [0,1,0,0,0,1|2,0,0]=4 5822 B13R1.3787 Cc1ncnc(c1SCC(C)C)C 62a_100000210624_100009820708 [0,1,0,0,0,1|2,0,0]=4 5823 B13R1.3787 Cc1ncnc(c1SCC(C)C)C 62a_100009820708_100000210760 [0,1,0,0,0,1|2,0,0]=4 5824 B13R1.3787 Cc1ncnc(c1SCC(C)C)Cl 62a_100000210624_100012356128 [0,1,0,0,0,1|2,0,0]=4 5825 B13R1.3787 Cc1ncnc(c1SCC(C)C)Cl 62a_100012356128_100000210760 [0,1,0,0,0,1|2,0,0]=4 5826 B13R1.3787 Cc1ncnc(c1SCC(C)C)N 62a_100000210624_100011996190 [0,1,0,0,0,1|2,0,0]=4 5827 B13R1.3787 Cc1ncnc(c1SCC(C)C)N 62a_100011996190_100000210760 [0,1,0,0,0,1|2,0,0]=4 5828 B13R1.3787 Cc1occc(=O)c1OCC(C)C 34a_100000031901_100000210624 [0,1,0,0,0,1|2,0,0]=4 5829 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200010177600_200025704644 [0,2,0,0,0,0|2,0,0]=4 5830 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177600 [0,2,0,0,0,0|2,0,0]=4 5831 B13R1.51 CC(C)Sc1ccc(nc1CO)F 62a_100000210206_100000701195 [0,2,0,0,0,0|2,0,0]=4 5832 B13R1.51 CC(C)Sc1ccc(nc1CO)F 62a_100000701195_100000210206 [0,2,0,0,0,0|2,0,0]=4 5833 B13R1.51 CC(C)Sc1ncc(cc1CN)F 62a_100000210206_100010760786 [0,2,0,0,0,0|2,0,0]=4 5834 B13R1.51 CC(C)Sc1ncc(cc1CN)F 62a_100010760786_100000210206 [0,2,0,0,0,0|2,0,0]=4 5835 B13R1.51 CC(C)Sc1ncc(cc1CO)F 62a_100000079972_100000210206 [0,2,0,0,0,0|2,0,0]=4 5836 B13R1.51 CC(C)Sc1ncc(cc1CO)F 62a_100000210206_100000079972 [0,2,0,0,0,0|2,0,0]=4 5837 B13R1.51 CCc1nc(ccc1OC(C)C)C 34a_100000718140_100000210206 [0,2,0,0,0,0|2,0,0]=4 5838 B13R1.51 CCc1nc(ccc1OC(C)C)C 7a_100000718140_100000210206 [0,2,0,0,0,0|2,0,0]=4 5839 B13R1.51 COc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010246152 [0,2,0,0,0,0|2,0,0]=4 5840 B13R1.51 COc1cc(cnc1OC(C)C)Cl 34a_200009845368_100000210206 [0,2,0,0,0,0|2,0,0]=4 5841 B13R1.51 COc1cc(cnc1SC(C)C)C 62a_100000210206_200000118316 [0,2,0,0,0,0|2,0,0]=4 5842 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100000210206_100009867738 [0,2,0,0,0,0|2,0,0]=4 5843 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100010136273_100000210206 [0,2,0,0,0,0|2,0,0]=4 5844 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_100000210206_100000097218 [0,2,0,0,0,0|2,0,0]=4 5845 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_200010291755_100000210206 [0,2,0,0,0,0|2,0,0]=4 5846 B13R1.51 COc1nc(ccc1CN(C)C)Br 2230a_100102631434_100016029037 [0,2,0,0,0,0|2,0,0]=4 5847 B13R1.51 COc1nc(ccc1CN(C)C)Br 269982a_100102631434_100016029037 [0,2,0,0,0,0|2,0,0]=4 5848 B13R1.51 COc1nc(ccc1OC(C)C)Br 34a_100010893133_100000210206 [0,2,0,0,0,0|2,0,0]=4 5849 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100000210206_100010138632 [0,2,0,0,0,0|2,0,0]=4 5850 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100010138632_100000210206 [0,2,0,0,0,0|2,0,0]=4 5851 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100000210206_100010187630 [0,2,0,0,0,0|2,0,0]=4 5852 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100010187630_100000210206 [0,2,0,0,0,0|2,0,0]=4 5853 B13R1.51 COc1nc(cnc1C=C(C)C)Br 271570a_100102525489_100010214903 [0,2,0,0,0,0|0,0,2]=4 5854 B13R1.51 COc1nc(cnc1C=C(C)C)N 271570a_100102525489_100010128448 [0,2,0,0,0,0|0,0,2]=4 5855 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100000210206_100010214903 [0,2,0,0,0,0|1,0,0]=3 5856 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100010214903_100000210206 [0,2,0,0,0,0|1,0,0]=3 5857 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100000210206_100010128448 [0,2,0,0,0,0|1,0,0]=3 5858 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100010128448_100000210206 [0,2,0,0,0,0|1,0,0]=3 5859 B13R1.51 CSc1cc(cnc1NC(C)C)C 27a_100138425928_100010884634 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200000210301_200010177600 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200010177600_200000210301 [0,2,0,0,0,0|2,0,0]=4 5862 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200000210301_200012348018 [0,2,0,0,0,0|2,0,0]=4 5863 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200012348018_200000210301 [0,2,0,0,0,0|2,0,0]=4 5864 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100000210206_100010884634 [0,2,0,0,0,0|2,0,0]=4 5865 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100010884634_100000210206 [0,2,0,0,0,0|2,0,0]=4 5866 B13R1.51 Cc1ccc(c(n1)CCl)OC(C)C 34a_100020630696_100000210206 [0,2,0,0,0,0|2,0,0]=4 5867 B13R1.51 Cc1ccc(c(n1)CCl)OC(C)C 7a_100020630696_100000210206 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.51 Cc1ccc(c(n1)CO)OC(C)C 34a_100000751967_100000210206 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.51 Cc1ccc(c(n1)CO)SC(C)C 62a_100000210206_100010074375 [0,2,0,0,0,0|2,0,0]=4 5870 B13R1.51 Cc1ccc(c(n1)CO)SC(C)C 62a_100010074375_100000210206 [0,2,0,0,0,0|2,0,0]=4 5871 B13R1.51 Cc1cnc(c(c1)CO)SC(C)C 62a_100000118064_100000210206 [0,2,0,0,0,0|2,0,0]=4 5872 B13R1.51 Cc1cnc(c(c1)CO)SC(C)C 62a_100000210206_100000118064 [0,2,0,0,0,0|2,0,0]=4 5873 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200012348018_200025704644 [0,2,0,0,0,0|2,0,0]=4 5874 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200025704644_200012348018 [0,2,0,0,0,0|2,0,0]=4 5875 B13R1.89 CC(=C(C)c1nccnc1CN)C 271570a_200000049429_100000729963 [0,2,0,0,0,0|0,0,2]=4 5876 B13R1.89 CC(=C(C)c1nccnc1CO)C 271570a_200000049429_100000057004 [0,2,0,0,0,0|0,0,2]=4 5877 B13R1.89 CC(C)N(C)c1nccnc1C#N 27a_200000211004_100000040484 [0,2,0,0,0,0|1,0,1]=4 5878 B13R1.89 CCc1nccnc1C(=C(C)C)C 271570a_200000049429_100011995844 [0,2,0,0,0,0|0,0,2]=4 5879 B13R1.89 CCc1nccnc1N(C)C(C)C 27a_200000211004_100011995844 [0,2,0,0,0,0|1,0,0]=3 5880 B13R1.89 CNc1nccnc1C(=C(C)C)C 271570a_200000049429_100011529439 [0,2,0,0,0,0|0,0,2]=4 5881 B13R1.89 COc1nccnc1C(=C(C)C)C 271570a_200000049429_100000749998 [0,2,0,0,0,0|0,0,2]=4 5882 B13R1.89 COc1nccnc1N(C)C(C)C 27a_200000211004_100009858322 [0,2,0,0,0,0|1,0,0]=3 5883 B13R1.91 C#CC(C)Nc1nccnc1CC 27a_100000707721_100011995844 [0,2,0,0,0,0|1,0,1]=4 5884 B13R1.91 C#CC(C)Nc1nccnc1OC 27a_100000707721_100009858322 [0,2,0,0,0,0|1,0,1]=4 5885 B13R1.91 C#CC(C)Sc1nccnc1CC 62a_200000035995_100011995844 [0,2,0,0,0,0|1,0,1]=4 5886 B13R1.91 C#CC(C)Sc1nccnc1CN 62a_200000035995_100000729963 [0,2,0,0,0,0|1,0,1]=4 5887 B13R1.91 C#CC(C)Sc1nccnc1CO 62a_200000035995_100000057004 [0,2,0,0,0,0|1,0,1]=4 5888 B13R1.91 C#CC(C)Sc1nccnc1NC 62a_200000035995_100011529439 [0,2,0,0,0,0|1,0,1]=4 5889 B13R1.91 C#CC(C)Sc1nccnc1OC 62a_200000035995_100000749998 [0,2,0,0,0,0|1,0,1]=4 5890 B13R1.91 C=CC(C)Sc1nccnc1CC 62a_100011215867_100011995844 [0,2,0,0,0,0|1,0,1]=4 5891 B13R1.91 C=CC(C)Sc1nccnc1CN 62a_100011215867_100000729963 [0,2,0,0,0,0|1,0,1]=4 5892 B13R1.91 C=CC(C)Sc1nccnc1CO 62a_100011215867_100000057004 [0,2,0,0,0,0|1,0,1]=4 5893 B13R1.91 C=CC(C)Sc1nccnc1NC 62a_100011215867_100011529439 [0,2,0,0,0,0|1,0,1]=4 5894 B13R1.91 C=CC(C)Sc1nccnc1OC 62a_100011215867_100000749998 [0,2,0,0,0,0|1,0,1]=4 5895 B13R1.91 CC(C#N)Sc1nccnc1CN 62a_100000703298_100000729963 [0,2,0,0,0,0|1,0,1]=4 5896 B13R1.91 CC(C#N)Sc1nccnc1CN 62a_100000729963_100000703298 [0,2,0,0,0,0|1,0,1]=4 5897 B13R1.91 CC(C#N)Sc1nccnc1CO 62a_100000057004_100000703298 [0,2,0,0,0,0|1,0,1]=4 5898 B13R1.91 CC(C#N)Sc1nccnc1CO 62a_100000703298_100000057004 [0,2,0,0,0,0|1,0,1]=4 5899 B13R1.91 CC(CO)Oc1cccnc1CBr 34a_200020655725_100012180447 [0,2,0,0,0,0|2,0,0]=4 5900 B13R1.91 CC(CO)Oc1cccnc1CBr 7a_200020655725_100012180447 [0,2,0,0,0,0|2,0,0]=4 5901 B13R1.91 CC(CO)Oc1cccnc1CO 34a_100000731849_100012180447 [0,2,0,0,0,0|2,0,0]=4 5902 B13R1.91 CC(CO)Sc1cccnc1CN 62a_100012180447_100020591323 [0,2,0,0,0,0|2,0,0]=4 5903 B13R1.91 CC(CO)Sc1cccnc1CO 62a_100012180447_100011996772 [0,2,0,0,0,0|2,0,0]=4 5904 B13R1.91 CC(CO)Sc1ncccc1CN 62a_100012180447_100015189234 [0,2,0,0,0,0|2,0,0]=4 5905 B13R1.91 CC(CO)Sc1ncccc1CO 62a_100012180447_100000748726 [0,2,0,0,0,0|2,0,0]=4 5906 B13R1.91 CC(CO)Sc1nccnc1C#N 62a_100012180447_100000040484 [0,2,0,0,0,0|1,0,1]=4 5907 B13R1.91 CC(CO)Sc1nccnc1C=O 62a_100012180447_100000051000 [0,2,0,0,0,0|1,0,1]=4 5908 B13R1.91 CC(CO)Sc1nccnc1CN 62a_100012180447_100000729963 [0,2,0,0,0,0|1,0,0]=3 5909 B13R1.91 CC(CO)Sc1nccnc1CO 62a_100012180447_100000057004 [0,2,0,0,0,0|1,0,0]=3 5910 B13R1.91 CC(CO)Sc1nccnc1NN 62a_100012180447_100000755098 [0,2,0,0,0,0|2,0,0]=4 5911 B13R1.91 CCC(C)Oc1cccnc1CBr 34a_200020655725_100011215416 [0,2,0,0,0,0|2,0,0]=4 5912 B13R1.91 CCC(C)Oc1cccnc1CBr 7a_200020655725_100000758301 [0,2,0,0,0,0|2,0,0]=4 5913 B13R1.91 CCC(C)Oc1cccnc1CO 34a_100000731849_100011215416 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.91 CCC(C)Oc1cccnc1OC 34a_100000698397_100011215416 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.91 CCC(C)Oc1cccnc1OC 7a_100000698397_100000758301 [0,2,0,0,0,0|2,0,0]=4 5916 B13R1.91 CCC(C)Oc1ncccc1OC 34a_100025773188_100011215416 [0,2,0,0,0,0|2,0,0]=4 5917 B13R1.91 CCC(C)Sc1cccnc1CN 62a_100000758301_100020591323 [0,2,0,0,0,0|2,0,0]=4 5918 B13R1.91 CCC(C)Sc1cccnc1CN 62a_100020591323_100000758301 [0,2,0,0,0,0|2,0,0]=4 5919 B13R1.91 CCC(C)Sc1cccnc1CO 62a_100000758301_100011996772 [0,2,0,0,0,0|2,0,0]=4 5920 B13R1.91 CCC(C)Sc1cccnc1CO 62a_100011996772_100000758301 [0,2,0,0,0,0|2,0,0]=4 5921 B13R1.91 CCC(C)Sc1cccnc1NC 62a_100000700899_100000758301 [0,2,0,0,0,0|2,0,0]=4 5922 B13R1.91 CCC(C)Sc1cccnc1NC 62a_100000758301_100000700899 [0,2,0,0,0,0|2,0,0]=4 5923 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000047025_100000758301 [0,2,0,0,0,0|2,0,0]=4 5924 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000758301_100000047025 [0,2,0,0,0,0|2,0,0]=4 5925 B13R1.91 CCC(C)Sc1cccnc1SC 62a_100000758301_100011465278 [0,2,0,0,0,0|2,0,0]=4 5926 B13R1.91 CCC(C)Sc1cccnc1SC 62a_100011465278_100000758301 [0,2,0,0,0,0|2,0,0]=4 5927 B13R1.91 CCC(C)Sc1ncccc1CN 62a_100000758301_100015189234 [0,2,0,0,0,0|2,0,0]=4 5928 B13R1.91 CCC(C)Sc1ncccc1CN 62a_100015189234_100000758301 [0,2,0,0,0,0|2,0,0]=4 5929 B13R1.91 CCC(C)Sc1ncccc1CO 62a_100000748726_100000758301 [0,2,0,0,0,0|2,0,0]=4 5930 B13R1.91 CCC(C)Sc1ncccc1CO 62a_100000758301_100000748726 [0,2,0,0,0,0|2,0,0]=4 5931 B13R1.91 CCC(C)Sc1ncccc1NC 62a_100000758301_200011806188 [0,2,0,0,0,0|2,0,0]=4 5932 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000758301_100000690851 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000767102_100000758301 [0,2,0,0,0,0|2,0,0]=4 5934 B13R1.91 CCC(C)Sc1nccnc1C#N 62a_100000758301_100000040484 [0,2,0,0,0,0|1,0,1]=4 5935 B13R1.91 CCC(C)Sc1nccnc1C=O 62a_100000051000_100000758301 [0,2,0,0,0,0|1,0,1]=4 5936 B13R1.91 CCC(C)Sc1nccnc1C=O 62a_100000758301_100000051000 [0,2,0,0,0,0|1,0,1]=4 5937 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000729963_100000758301 [0,2,0,0,0,0|1,0,0]=3 5938 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000758301_100000729963 [0,2,0,0,0,0|1,0,0]=3 5939 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000057004_100000758301 [0,2,0,0,0,0|1,0,0]=3 5940 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000758301_100000057004 [0,2,0,0,0,0|1,0,0]=3 5941 B13R1.91 CCC(C)Sc1nccnc1NC 62a_100000758301_100011529439 [0,2,0,0,0,0|1,0,0]=3 5942 B13R1.91 CCC(C)Sc1nccnc1NN 62a_100000758301_100000755098 [0,2,0,0,0,0|2,0,0]=4 5943 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100000758301_100000749998 [0,2,0,0,0,0|1,0,0]=3 5944 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100009858322_100000758301 [0,2,0,0,0,0|1,0,0]=3 5945 B13R1.91 CCN(C)Cc1cccnc1OC 2230a_100000225621_100020631285 [0,2,0,0,0,0|2,0,0]=4 5946 B13R1.91 CCc1ncccc1SC(C)CC 62a_100000758301_100009877225 [0,2,0,0,0,0|2,0,0]=4 5947 B13R1.91 CCc1ncccc1SC(C)CC 62a_100009877225_100000758301 [0,2,0,0,0,0|2,0,0]=4 5948 B13R1.91 CCc1ncccc1SC(C)CO 62a_100012180447_100009877225 [0,2,0,0,0,0|2,0,0]=4 5949 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009877225_100009879195 [0,2,0,0,0,0|2,0,0]=4 5950 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009879195_100009877225 [0,2,0,0,0,0|2,0,0]=4 5951 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100009877225_100016084084 [0,2,0,0,0,0|2,0,0]=4 5952 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100016084084_100009877225 [0,2,0,0,0,0|2,0,0]=4 5953 B13R1.91 CCc1nccnc1N[C@H](C)CF 27a_100102880703_100011995844 [0,2,0,0,0,0|1,0,0]=3 5954 B13R1.91 CCc1nccnc1N[C@H](C)CO 27a_100000737577_100011995844 [0,2,0,0,0,0|1,0,0]=3 5955 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100000703298_100011995844 [0,2,0,0,0,0|1,0,1]=4 5956 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100011995844_100000703298 [0,2,0,0,0,0|1,0,1]=4 5957 B13R1.91 CCc1nccnc1SC(C)CC 62a_100000758301_100011995844 [0,2,0,0,0,0|1,0,0]=3 5958 B13R1.91 CCc1nccnc1SC(C)CC 62a_100011995844_100000758301 [0,2,0,0,0,0|1,0,0]=3 5959 B13R1.91 CCc1nccnc1SC(C)CO 62a_100012180447_100011995844 [0,2,0,0,0,0|1,0,0]=3 5960 B13R1.91 CCc1nccnc1SC(C)OC 62a_100009879195_100011995844 [0,2,0,0,0,0|1,0,0]=3 5961 B13R1.91 CCc1nccnc1SC(C)OC 62a_100011995844_100009879195 [0,2,0,0,0,0|1,0,0]=3 5962 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100011995844_100016084084 [0,2,0,0,0,0|1,0,0]=3 5963 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100016084084_100011995844 [0,2,0,0,0,0|1,0,0]=3 5964 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,2,0,0,0,0|2,0,0]=4 5965 B13R1.91 CNc1cccnc1SC(C)CO 62a_100012180447_200011806188 [0,2,0,0,0,0|2,0,0]=4 5966 B13R1.91 CNc1cccnc1SC(C)OC 62a_100009879195_200011806188 [0,2,0,0,0,0|2,0,0]=4 5967 B13R1.91 CNc1cccnc1S[C@H](C)CO 62a_100016084084_200011806188 [0,2,0,0,0,0|2,0,0]=4 5968 B13R1.91 CNc1ncccc1SC(C)CO 62a_100012180447_100000700899 [0,2,0,0,0,0|2,0,0]=4 5969 B13R1.91 CNc1ncccc1SC(C)OC 62a_100000700899_100009879195 [0,2,0,0,0,0|2,0,0]=4 5970 B13R1.91 CNc1ncccc1SC(C)OC 62a_100009879195_100000700899 [0,2,0,0,0,0|2,0,0]=4 5971 B13R1.91 CNc1ncccc1S[C@H](C)CO 62a_100000700899_100016084084 [0,2,0,0,0,0|2,0,0]=4 5972 B13R1.91 CNc1ncccc1S[C@H](C)CO 62a_100016084084_100000700899 [0,2,0,0,0,0|2,0,0]=4 5973 B13R1.91 CNc1nccnc1SC(C)C#N 62a_100000703298_100011529439 [0,2,0,0,0,0|1,0,1]=4 5974 B13R1.91 CNc1nccnc1SC(C)CO 62a_100012180447_100011529439 [0,2,0,0,0,0|1,0,0]=3 5975 B13R1.91 CNc1nccnc1SC(C)OC 62a_100009879195_100011529439 [0,2,0,0,0,0|1,0,0]=3 5976 B13R1.91 CNc1nccnc1S[C@H](C)CO 62a_100016084084_100011529439 [0,2,0,0,0,0|1,0,0]=3 5977 B13R1.91 COC(C)Sc1cccnc1CN 62a_100009879195_100020591323 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.91 COC(C)Sc1cccnc1CN 62a_100020591323_100009879195 [0,2,0,0,0,0|2,0,0]=4 5979 B13R1.91 COC(C)Sc1cccnc1CO 62a_100009879195_100011996772 [0,2,0,0,0,0|2,0,0]=4 5980 B13R1.91 COC(C)Sc1cccnc1CO 62a_100011996772_100009879195 [0,2,0,0,0,0|2,0,0]=4 5981 B13R1.91 COC(C)Sc1cccnc1SC 62a_100009879195_100011465278 [0,2,0,0,0,0|2,0,0]=4 5982 B13R1.91 COC(C)Sc1cccnc1SC 62a_100011465278_100009879195 [0,2,0,0,0,0|2,0,0]=4 5983 B13R1.91 COC(C)Sc1ncccc1CN 62a_100009879195_100015189234 [0,2,0,0,0,0|2,0,0]=4 5984 B13R1.91 COC(C)Sc1ncccc1CN 62a_100015189234_100009879195 [0,2,0,0,0,0|2,0,0]=4 5985 B13R1.91 COC(C)Sc1ncccc1CO 62a_100000748726_100009879195 [0,2,0,0,0,0|2,0,0]=4 5986 B13R1.91 COC(C)Sc1ncccc1CO 62a_100009879195_100000748726 [0,2,0,0,0,0|2,0,0]=4 5987 B13R1.91 COC(C)Sc1nccnc1C#N 62a_100009879195_100000040484 [0,2,0,0,0,0|1,0,1]=4 5988 B13R1.91 COC(C)Sc1nccnc1C=O 62a_100000051000_100009879195 [0,2,0,0,0,0|1,0,1]=4 5989 B13R1.91 COC(C)Sc1nccnc1C=O 62a_100009879195_100000051000 [0,2,0,0,0,0|1,0,1]=4 5990 B13R1.91 COC(C)Sc1nccnc1CN 62a_100000729963_100009879195 [0,2,0,0,0,0|1,0,0]=3 5991 B13R1.91 COC(C)Sc1nccnc1CN 62a_100009879195_100000729963 [0,2,0,0,0,0|1,0,0]=3 5992 B13R1.91 COC(C)Sc1nccnc1CO 62a_100000057004_100009879195 [0,2,0,0,0,0|1,0,0]=3 5993 B13R1.91 COC(C)Sc1nccnc1CO 62a_100009879195_100000057004 [0,2,0,0,0,0|1,0,0]=3 5994 B13R1.91 COC(C)Sc1nccnc1NN 62a_100009879195_100000755098 [0,2,0,0,0,0|2,0,0]=4 5995 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.91 COc1cccnc1OC(C)CO 34a_100025773188_100012180447 [0,2,0,0,0,0|2,0,0]=4 5998 B13R1.91 COc1cccnc1SC(C)CO 62a_100012180447_100000690851 [0,2,0,0,0,0|2,0,0]=4 5999 B13R1.91 COc1cccnc1SC(C)OC 62a_100000767102_100009879195 [0,2,0,0,0,0|2,0,0]=4 6000 B13R1.91 COc1cccnc1SC(C)OC 62a_100009879195_100000690851 [0,2,0,0,0,0|2,0,0]=4 6001 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100000767102_100016084084 [0,2,0,0,0,0|2,0,0]=4 6002 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100016084084_100000690851 [0,2,0,0,0,0|2,0,0]=4 6003 B13R1.91 COc1ncccc1OC(C)CO 34a_100000698397_100012180447 [0,2,0,0,0,0|2,0,0]=4 6004 B13R1.91 COc1ncccc1OC(C)CO 7a_100000698397_100012180447 [0,2,0,0,0,0|2,0,0]=4 6005 B13R1.91 COc1ncccc1SC(C)CO 62a_100012180447_100000047025 [0,2,0,0,0,0|2,0,0]=4 6006 B13R1.91 COc1ncccc1SC(C)OC 62a_100000047025_100009879195 [0,2,0,0,0,0|2,0,0]=4 6007 B13R1.91 COc1ncccc1SC(C)OC 62a_100009879195_100000047025 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100000047025_100016084084 [0,2,0,0,0,0|2,0,0]=4 6009 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100016084084_100000047025 [0,2,0,0,0,0|2,0,0]=4 6010 B13R1.91 COc1nccnc1N[C@H](C)CF 27a_100102880703_100009858322 [0,2,0,0,0,0|1,0,0]=3 6011 B13R1.91 COc1nccnc1N[C@H](C)CO 27a_100000737577_100009858322 [0,2,0,0,0,0|1,0,0]=3 6012 B13R1.91 COc1nccnc1SC(C)C#N 62a_100000703298_100000749998 [0,2,0,0,0,0|1,0,1]=4 6013 B13R1.91 COc1nccnc1SC(C)C#N 62a_100009858322_100000703298 [0,2,0,0,0,0|1,0,1]=4 6014 B13R1.91 COc1nccnc1SC(C)CO 62a_100012180447_100000749998 [0,2,0,0,0,0|1,0,0]=3 6015 B13R1.91 COc1nccnc1SC(C)OC 62a_100009858322_100009879195 [0,2,0,0,0,0|1,0,0]=3 6016 B13R1.91 COc1nccnc1SC(C)OC 62a_100009879195_100000749998 [0,2,0,0,0,0|1,0,0]=3 6017 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100009858322_100016084084 [0,2,0,0,0,0|1,0,0]=3 6018 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100016084084_100000749998 [0,2,0,0,0,0|1,0,0]=3 6019 B13R1.91 CSc1ncccc1SC(C)CO 62a_100012180447_100011465278 [0,2,0,0,0,0|2,0,0]=4 6020 B13R1.91 CSc1ncccc1S[C@H](C)CO 62a_100011465278_100016084084 [0,2,0,0,0,0|2,0,0]=4 6021 B13R1.91 CSc1ncccc1S[C@H](C)CO 62a_100016084084_100011465278 [0,2,0,0,0,0|2,0,0]=4 6022 B13R1.91 C[C@H](CF)Nc1nccnc1C#N 27a_100102880703_100000040484 [0,2,0,0,0,0|1,0,1]=4 6023 B13R1.91 C[C@H](CO)Nc1nccnc1C#N 27a_100000737577_100000040484 [0,2,0,0,0,0|1,0,1]=4 6024 B13R1.91 C[C@H](CO)Sc1cccnc1CN 62a_100016084084_100020591323 [0,2,0,0,0,0|2,0,0]=4 6025 B13R1.91 C[C@H](CO)Sc1cccnc1CN 62a_100020591323_100016084084 [0,2,0,0,0,0|2,0,0]=4 6026 B13R1.91 C[C@H](CO)Sc1cccnc1CO 62a_100011996772_100016084084 [0,2,0,0,0,0|2,0,0]=4 6027 B13R1.91 C[C@H](CO)Sc1cccnc1CO 62a_100016084084_100011996772 [0,2,0,0,0,0|2,0,0]=4 6028 B13R1.91 C[C@H](CO)Sc1ncccc1CN 62a_100015189234_100016084084 [0,2,0,0,0,0|2,0,0]=4 6029 B13R1.91 C[C@H](CO)Sc1ncccc1CN 62a_100016084084_100015189234 [0,2,0,0,0,0|2,0,0]=4 6030 B13R1.91 C[C@H](CO)Sc1ncccc1CO 62a_100000748726_100016084084 [0,2,0,0,0,0|2,0,0]=4 6031 B13R1.91 C[C@H](CO)Sc1ncccc1CO 62a_100016084084_100000748726 [0,2,0,0,0,0|2,0,0]=4 6032 B13R1.91 C[C@H](CO)Sc1nccnc1C#N 62a_100016084084_100000040484 [0,2,0,0,0,0|1,0,1]=4 6033 B13R1.91 C[C@H](CO)Sc1nccnc1C=O 62a_100000051000_100016084084 [0,2,0,0,0,0|1,0,1]=4 6034 B13R1.91 C[C@H](CO)Sc1nccnc1C=O 62a_100016084084_100000051000 [0,2,0,0,0,0|1,0,1]=4 6035 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100000729963_100016084084 [0,2,0,0,0,0|1,0,0]=3 6036 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100016084084_100000729963 [0,2,0,0,0,0|1,0,0]=3 6037 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100000057004_100016084084 [0,2,0,0,0,0|1,0,0]=3 6038 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100016084084_100000057004 [0,2,0,0,0,0|1,0,0]=3 6039 B13R1.91 C[C@H](CO)Sc1nccnc1NN 62a_100016084084_100000755098 [0,2,0,0,0,0|2,0,0]=4 6040 B13R1.115 COc1c(ccnc1CN(C)C)Cl 2230a_100102631434_100015371371 [0,2,0,0,0,0|2,0,0]=4 6041 B13R1.115 COc1c(ccnc1SC(C)C)N 62a_100000104429_100000210206 [0,2,0,0,0,0|2,0,0]=4 6042 B13R1.115 COc1c(ccnc1SC(C)C)N 62a_100000210206_100000104429 [0,2,0,0,0,0|2,0,0]=4 6043 B13R1.115 COc1c(ccnc1SC(C)C)O 62a_100000210206_100000104430 [0,2,0,0,0,0|2,0,0]=4 6044 B13R1.380 CC(C)Oc1ncccc1CN[13CH3] 2230a_100000740383_200025704644 [0,2,0,0,0,0|2,0,0]=4 6045 B13R1.380 CC(C)Oc1ncccc1SCF 62a_100015361967_200011465186 [0,2,0,0,0,0|2,0,0]=4 6046 B13R1.380 CC(C)Oc1ncccc1SCF 62a_200011465186_100015361967 [0,2,0,0,0,0|2,0,0]=4 6047 B13R1.380 CC(C)Sc1cccnc1CC#N 62a_100000210206_100011824415 [0,2,0,0,0,0|2,0,0]=4 6048 B13R1.380 CC(C)Sc1cccnc1CC#N 62a_100011824415_100000210206 [0,2,0,0,0,0|2,0,0]=4 6049 B13R1.380 CC(C)Sc1ncccc1CC#N 62a_100000096391_100000210206 [0,2,0,0,0,0|2,0,0]=4 6050 B13R1.380 CC(C)Sc1ncccc1CC#N 62a_100000210206_100000096391 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.380 CC=Cc1cccnc1OC(C)C 271570a_100016259895_200011465186 [0,2,0,0,0,0|2,0,0]=4 6052 B13R1.380 CCOc1cccnc1CN(C)C 270004a_100102631434_100009876934 [0,2,0,0,0,0|2,0,0]=4 6053 B13R1.380 CCOc1cccnc1SC(C)C 62a_100000210206_100011597540 [0,2,0,0,0,0|2,0,0]=4 6054 B13R1.380 CCOc1cccnc1SC(C)C 62a_100011597540_100000210206 [0,2,0,0,0,0|2,0,0]=4 6055 B13R1.380 CCOc1ncccc1CN(C)C 270004a_100102631434_100011290805 [0,2,0,0,0,0|2,0,0]=4 6056 B13R1.380 CCOc1ncccc1OC(C)C 34a_100011998697_100000210206 [0,2,0,0,0,0|2,0,0]=4 6057 B13R1.380 CCOc1ncccc1SC(C)C 62a_100000210206_100011465154 [0,2,0,0,0,0|2,0,0]=4 6058 B13R1.380 CCOc1ncccc1SC(C)C 62a_100011465154_100000210206 [0,2,0,0,0,0|2,0,0]=4 6059 B13R1.380 CCOc1nccnc1C=C(C)C 271570a_100102525489_200010128176 [0,2,0,0,0,0|0,0,2]=4 6060 B13R1.380 CCOc1nccnc1NC(C)C 27a_100138425928_200010128176 [0,2,0,0,0,0|1,0,0]=3 6061 B13R1.380 CCOc1nccnc1SC(C)C 62a_100000210206_200010128176 [0,2,0,0,0,0|1,0,0]=3 6062 B13R1.380 CCOc1nccnc1SC(C)C 62a_200010128176_100000210206 [0,2,0,0,0,0|1,0,0]=3 6063 B13R1.380 CCSc1cccnc1OC(C)C 62a_100000210202_200011465186 [0,2,0,0,0,0|2,0,0]=4 6064 B13R1.380 CCSc1cccnc1OC(C)C 62a_200011465186_100000210202 [0,2,0,0,0,0|2,0,0]=4 6065 B13R1.380 CNCc1cccnc1OC(C)C 207a_100102657272_100011290806 [0,2,0,0,0,0|2,0,0]=4 6066 B13R1.380 CNCc1cccnc1OC(C)C 2230a_100000740383_200000210301 [0,2,0,0,0,0|2,0,0]=4 6067 B13R1.380 CNCc1cccnc1OC(C)C 270004a_106832991635_100011290806 [0,2,0,0,0,0|2,0,0]=4 6068 B13R1.380 CNCc1cccnc1SC(C)C 62a_100000210206_103496529121 [0,2,0,0,0,0|2,0,0]=4 6069 B13R1.380 CNCc1cccnc1SC(C)C 62a_103496529121_100000210206 [0,2,0,0,0,0|2,0,0]=4 6070 B13R1.589 C=C(C)c1cccnc1OC(C)C 271570a_100000694244_200011465186 [0,2,0,0,0,0|2,0,0]=4 6071 B13R1.589 CC(=Cc1nccnc1N(C)C)C 271570a_100102525489_100000703087 [0,2,0,0,0,0|0,0,2]=4 6072 B13R1.589 CC(=O)c1cccnc1NC(C)C 27a_100138425928_100009816689 [0,2,0,0,0,0|2,0,0]=4 6073 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000210206_100000753718 [0,2,0,0,0,0|2,0,0]=4 6074 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000753718_100000210206 [0,2,0,0,0,0|2,0,0]=4 6075 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,2,0,0,0,0|2,0,0]=4 6076 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,2,0,0,0,0|2,0,0]=4 6077 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100000210206_100012348690 [0,2,0,0,0,0|2,0,0]=4 6078 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100012348690_100000210206 [0,2,0,0,0,0|2,0,0]=4 6079 B13R1.589 CC(=O)c1nccnc1C=C(C)C 271570a_100102525489_100000099859 [0,2,0,0,0,0|0,0,2]=4 6080 B13R1.589 CC(=O)c1nccnc1NC(C)C 27a_100138425928_100000099859 [0,2,0,0,0,0|1,0,0]=3 6081 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000099859_100000210206 [0,2,0,0,0,0|1,0,0]=3 6082 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000210206_100000099859 [0,2,0,0,0,0|1,0,0]=3 6083 B13R1.589 CC(C)Nc1nccnc1C(=O)N 27a_100138425928_100000094861 [0,2,0,0,0,0|1,0,1]=4 6084 B13R1.589 CC(C)Nc1nccnc1N(C)C 27a_100138425928_100000703087 [0,2,0,0,0,0|1,0,0]=3 6085 B13R1.589 CC(C)Oc1cccnc1C(C)C 34a_100012183336_100000210206 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.589 CC(C)Oc1cccnc1C(C)C 7a_100012183336_100000210206 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.589 CC(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210206 [0,2,0,0,0,0|1,0,1]=4 6088 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100000210206_100159271932 [0,2,0,0,0,0|2,0,0]=4 6089 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100159271932_100000210206 [0,2,0,0,0,0|2,0,0]=4 6090 B13R1.589 CC(C)Sc1cccnc1C(F)F 62a_100000210206_100010079810 [0,2,0,0,0,0|2,0,0]=4 6091 B13R1.589 CC(C)Sc1cccnc1C(F)F 62a_100010079810_100000210206 [0,2,0,0,0,0|2,0,0]=4 6092 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100000210206_100011465059 [0,2,0,0,0,0|2,0,0]=4 6093 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100011465059_100000210206 [0,2,0,0,0,0|2,0,0]=4 6094 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100000210206_100013325542 [0,2,0,0,0,0|2,0,0]=4 6095 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100013325542_100000210206 [0,2,0,0,0,0|2,0,0]=4 6096 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_100000210206_200010382935 [0,2,0,0,0,0|2,0,0]=4 6097 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_200010382935_100000210206 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100000210206_100009865335 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100009865335_100000210206 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.589 CC(C)Sc1ncccc1C(F)F 62a_100000210206_100010136063 [0,2,0,0,0,0|2,0,0]=4 6101 B13R1.589 CC(C)Sc1ncccc1C(F)F 62a_100010136063_100000210206 [0,2,0,0,0,0|2,0,0]=4 6102 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000094861_100000210206 [0,2,0,0,0,0|1,0,1]=4 6103 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000210206_100000094861 [0,2,0,0,0,0|1,0,1]=4 6104 B13R1.589 CC(C)Sc1nccnc1N(C)C 62a_100000210206_100000703087 [0,2,0,0,0,0|1,0,0]=3 6105 B13R1.589 CC(C)c1cccnc1CN(C)C 2230a_100102631434_200134614246 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.589 CC(C)c1cccnc1CN(C)C 269982a_100102631434_200134614246 [0,2,0,0,0,0|2,0,0]=4 6107 B13R1.589 CN(C)Cc1cccnc1N(C)C 270004a_100102631434_100000731630 [0,2,0,0,0,0|2,0,0]=4 6108 B13R1.622 CC(C)(C)Oc1cccnc1CBr 34a_200020655725_100000210625 [0,2,0,0,0,0|2,0,0]=4 6109 B13R1.622 CC(C)(C)Oc1cccnc1CO 34a_100000731849_100000210625 [0,2,0,0,0,0|2,0,0]=4 6110 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_100011465193_200025704644 [0,2,0,0,0,0|2,0,0]=4 6111 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_200025704644_100011465193 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.622 CC(C)(C)Sc1cccnc1CN 62a_100000211941_100020591323 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.622 CC(C)(C)Sc1cccnc1CN 62a_100020591323_100000211941 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.622 CC(C)(C)Sc1cccnc1CO 62a_100000211941_100011996772 [0,2,0,0,0,0|2,0,0]=4 6115 B13R1.622 CC(C)(C)Sc1cccnc1CO 62a_100011996772_100000211941 [0,2,0,0,0,0|2,0,0]=4 6116 B13R1.622 CC(C)(C)Sc1ncccc1CN 62a_100000211941_100015189234 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.622 CC(C)(C)Sc1ncccc1CN 62a_100015189234_100000211941 [0,2,0,0,0,0|2,0,0]=4 6118 B13R1.622 CC(C)(C)Sc1ncccc1CO 62a_100000211941_100000748726 [0,2,0,0,0,0|2,0,0]=4 6119 B13R1.622 CC(C)(C)Sc1ncccc1CO 62a_100000748726_100000211941 [0,2,0,0,0,0|2,0,0]=4 6120 B13R1.622 CC(C)(C)Sc1nccnc1C#N 62a_100000211941_100000040484 [0,2,0,0,0,0|1,0,1]=4 6121 B13R1.622 CC(C)(C)Sc1nccnc1C=O 62a_100000051000_100000211941 [0,2,0,0,0,0|1,0,1]=4 6122 B13R1.622 CC(C)(C)Sc1nccnc1C=O 62a_100000211941_100000051000 [0,2,0,0,0,0|1,0,1]=4 6123 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000211941_100000729963 [0,2,0,0,0,0|1,0,0]=3 6124 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000729963_100000211941 [0,2,0,0,0,0|1,0,0]=3 6125 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000057004_100000211941 [0,2,0,0,0,0|1,0,0]=3 6126 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000211941_100000057004 [0,2,0,0,0,0|1,0,0]=3 6127 B13R1.622 CC(C)(C)Sc1nccnc1NN 62a_100000211941_100000755098 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_100161000475_200025704644 [0,2,0,0,0,0|2,0,0]=4 6129 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_200025704644_100161000475 [0,2,0,0,0,0|2,0,0]=4 6130 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100000211941_100009877225 [0,2,0,0,0,0|2,0,0]=4 6131 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100009877225_100000211941 [0,2,0,0,0,0|2,0,0]=4 6132 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100000211941_100011995844 [0,2,0,0,0,0|1,0,0]=3 6133 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100011995844_100000211941 [0,2,0,0,0,0|1,0,0]=3 6134 B13R1.622 CNc1cccnc1SC(C)(C)C 62a_100000211941_200011806188 [0,2,0,0,0,0|2,0,0]=4 6135 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000211941_100000700899 [0,2,0,0,0,0|2,0,0]=4 6136 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000700899_100000211941 [0,2,0,0,0,0|2,0,0]=4 6137 B13R1.622 CNc1nccnc1SC(C)(C)C 62a_100000211941_100011529439 [0,2,0,0,0,0|1,0,0]=3 6138 B13R1.622 COc1cccnc1OC(C)(C)C 34a_100025773188_100000210625 [0,2,0,0,0,0|2,0,0]=4 6139 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000211941_100000690851 [0,2,0,0,0,0|2,0,0]=4 6140 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000767102_100000211941 [0,2,0,0,0,0|2,0,0]=4 6141 B13R1.622 COc1ncccc1OC(C)(C)C 34a_100000698397_100000210625 [0,2,0,0,0,0|2,0,0]=4 6142 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000047025_100000211941 [0,2,0,0,0,0|2,0,0]=4 6143 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000211941_100000047025 [0,2,0,0,0,0|2,0,0]=4 6144 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100000211941_100000749998 [0,2,0,0,0,0|1,0,0]=3 6145 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100009858322_100000211941 [0,2,0,0,0,0|1,0,0]=3 6146 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_100161000475_200000210301 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_200000210301_100161000475 [0,2,0,0,0,0|2,0,0]=4 6148 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_100011465193_200000210301 [0,2,0,0,0,0|2,0,0]=4 6149 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_200000210301_100011465193 [0,2,0,0,0,0|2,0,0]=4 6150 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100000211941_100011465278 [0,2,0,0,0,0|2,0,0]=4 6151 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100011465278_100000211941 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.2135 COc1nccc(c1CN(C)C)Cl 270004a_100102631434_100009849443 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.2135 COc1nccc(c1SC(C)C)C 62a_100000210206_100012353928 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.2135 COc1nccc(c1SC(C)C)C 62a_100012353928_100000210206 [0,2,0,0,0,0|2,0,0]=4 6155 B13R1.2135 COc1nccc(c1SC(C)C)N 62a_100000210206_100010243811 [0,2,0,0,0,0|2,0,0]=4 6156 B13R1.2135 COc1nccc(c1SC(C)C)N 62a_100010243811_100000210206 [0,2,0,0,0,0|2,0,0]=4 6157 B13R1.3089 CC(C)Nc1nc(cnc1C#N)N 27a_100138425928_100000099870 [0,2,0,0,0,0|1,0,1]=4 6158 B13R1.3089 CC(C)Sc1nc(cnc1C#N)N 62a_100000210206_100000099870 [0,2,0,0,0,0|1,0,1]=4 6159 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100000210206_100013085292 [0,2,0,0,0,0|2,0,0]=4 6160 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100013085292_100000210206 [0,2,0,0,0,0|2,0,0]=4 6161 B13R1.3089 COc1ccc(nc1CN(C)C)Br 270004a_100102631434_200010137984 [0,2,0,0,0,0|2,0,0]=4 6162 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100000210206_100009820875 [0,2,0,0,0,0|2,0,0]=4 6163 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100009820875_100000210206 [0,2,0,0,0,0|2,0,0]=4 6164 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100000210206_100010172607 [0,2,0,0,0,0|2,0,0]=4 6165 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100010172607_100000210206 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.3089 COc1ncc(cc1CN(C)C)Br 2230a_100102631434_100010065838 [0,2,0,0,0,0|2,0,0]=4 6167 B13R1.3089 COc1ncc(cc1CN(C)C)Br 269982a_100102631434_100010065838 [0,2,0,0,0,0|2,0,0]=4 6168 B13R1.3089 COc1ncc(cc1CN(C)C)Br 270004a_100102631434_100009814609 [0,2,0,0,0,0|2,0,0]=4 6169 B13R1.3089 COc1ncc(cc1CN(C)C)C 270004a_100102631434_100000118322 [0,2,0,0,0,0|2,0,0]=4 6170 B13R1.3089 COc1ncc(cc1CN(C)C)F 270004a_100102631434_100000081817 [0,2,0,0,0,0|2,0,0]=4 6171 B13R1.3089 COc1ncc(cc1OC(C)C)Br 34a_100010135713_100000210206 [0,2,0,0,0,0|2,0,0]=4 6172 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100000210206_100009814608 [0,2,0,0,0,0|2,0,0]=4 6173 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100009814608_100000210206 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100000210206_100012353929 [0,2,0,0,0,0|2,0,0]=4 6175 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100012353929_100000210206 [0,2,0,0,0,0|2,0,0]=4 6176 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100000210206_100009828472 [0,2,0,0,0,0|2,0,0]=4 6177 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100009828472_100000210206 [0,2,0,0,0,0|2,0,0]=4 6178 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100000210206_100012351452 [0,2,0,0,0,0|2,0,0]=4 6179 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100012351452_100000210206 [0,2,0,0,0,0|2,0,0]=4 6180 B13R1.3089 Cc1ccc(c(n1)SC(C)C)CO 62a_100000210206_102495338573 [0,2,0,0,0,0|2,0,0]=4 6181 B13R1.3089 Cc1ccc(c(n1)SC(C)C)CO 62a_102495338573_100000210206 [0,2,0,0,0,0|2,0,0]=4 6182 B13R1.163 CC(=C(C)c1ncc(nc1C)C)C 271570a_200000049429_100000065684 [0,2,0,0,0,0|0,0,2]=4 6183 B13R1.163 CC(=C(C)c1ncc(nc1C)N)C 271570a_200000049429_100009818570 [0,2,0,0,0,0|0,0,2]=4 6184 B13R1.696 CC(CO)N(C)c1nccnc1F 27a_100000693034_200010125657 [0,2,0,0,0,0|2,0,0]=4 6185 B13R1.696 CCC(C)N(C)c1nccnc1C 27a_100000741768_100011999405 [0,2,0,0,0,0|1,0,0]=3 6186 B13R1.696 CCC(C)N(C)c1nccnc1F 27a_100000741768_200010125657 [0,2,0,0,0,0|2,0,0]=4 6187 B13R1.696 Cc1nccnc1N(C)C(C)CO 27a_100000693034_100011999405 [0,2,0,0,0,0|1,0,0]=3 6188 B13R1.720 CCN(c1nccnc1C)C(C)C 27a_100000223864_100011999405 [0,2,0,0,0,0|1,0,0]=3 6189 B13R1.720 CCN(c1nccnc1F)C(C)C 27a_100000223864_200010125657 [0,2,0,0,0,0|2,0,0]=4 6190 B13R1.897 CC(=C(C)c1nc(cnc1C)C)C 271570a_200000049429_100000211308 [0,2,0,0,0,0|0,0,2]=4 6191 B13R1.897 CC(=C(C)c1nc(cnc1C)N)C 271570a_200000049429_100009877824 [0,2,0,0,0,0|0,0,2]=4 6192 B13R1.897 Cc1cnc(c(n1)N(C)C(C)C)C 27a_200000211004_100000211308 [0,2,0,0,0,0|1,0,0]=3 6193 B13R1.3768 Cc1c(ccnc1N(C)C(C)C)F 27a_200000211004_100009846374 [0,2,0,0,0,0|2,0,0]=4 6194 B13R1.97 Cc1ccc(nc1NC(C)C)C#N 27a_100138425928_100000696734 [0,2,0,0,0,0|2,0,0]=4 6195 B13R1.97 Cc1ccc(nc1SC(C)C)C#N 62a_100000210206_100009852034 [0,2,0,0,0,0|2,0,0]=4 6196 B13R1.876 CC(C)Sc1nc(c(nc1Cl)N)Br 62a_100000210206_200015505259 [0,2,0,0,0,0|2,0,0]=4 6197 B13R1.876 CC(C)Sc1nc(c(nc1Cl)N)Br 62a_200015505259_100000210206 [0,2,0,0,0,0|2,0,0]=4 6198 B13R1.876 CC(C)Sc1nc(c(nc1N)Cl)Cl 62a_100000210206_100020639419 [0,2,0,0,0,0|2,0,0]=4 6199 B13R1.876 Cc1nc(c(cc1SC(C)C)N)N 62a_100000210206_100000688597 [0,2,0,0,0,0|2,0,0]=4 6200 B13R1.876 Cc1nc(c(cc1SC(C)C)N)N 62a_100000688597_100000210206 [0,2,0,0,0,0|2,0,0]=4 6201 B13R1.876 Cc1nc(c(nc1C)CN(C)C)C 270004a_100102631434_100000119031 [0,2,0,0,0,0|1,0,0]=3 6202 B13R1.876 Cc1nc(c(nc1C)OC(C)C)Cl 34a_100000717854_100000210206 [0,2,0,0,0,0|2,0,0]=4 6203 B13R1.876 Cc1nc(c(nc1C)SC(C)C)N 62a_100000210206_100012282008 [0,2,0,0,0,0|2,0,0]=4 6204 B13R1.876 Cc1nc(c(nc1C)SC(C)C)N 62a_100012282008_100000210206 [0,2,0,0,0,0|2,0,0]=4 6205 B13R1.876 Cc1nc(c(nc1C)SC(C)C)O 62a_100000210206_100000717854 [0,2,0,0,0,0|2,0,0]=4 6206 B13R1.885 Cc1ncc(c(c1SC(C)C)C)N 62a_100000210206_100012352430 [0,2,0,0,0,0|2,0,0]=4 6207 B13R1.885 Cc1ncc(c(c1SC(C)C)C)N 62a_100012352430_100000210206 [0,2,0,0,0,0|2,0,0]=4 6208 B13R1.894 CC(C)(C)Sc1nc(cnc1N)Br 62a_100000211941_100010988662 [0,2,0,0,0,0|2,0,0]=4 6209 B13R1.894 CC(C)(C)Sc1nc(cnc1N)Br 62a_100010988662_100000211941 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.894 Cc1ccc(c(n1)SC(C)(C)C)C 62a_100000211941_100009854376 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.894 Cc1ccc(c(n1)SC(C)(C)C)C 62a_100009854376_100000211941 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.894 Cc1ccc(nc1SC(C)(C)C)N 62a_100000126722_100000211941 [0,2,0,0,0,0|2,0,0]=4 6213 B13R1.894 Cc1ccc(nc1SC(C)(C)C)N 62a_100000211941_100000126722 [0,2,0,0,0,0|2,0,0]=4 6214 B13R1.894 Cc1cnc(c(c1)SC(C)(C)C)C 62a_100000211941_100009817436 [0,2,0,0,0,0|2,0,0]=4 6215 B13R1.894 Cc1cnc(c(c1)SC(C)(C)C)C 62a_100009817436_100000211941 [0,2,0,0,0,0|2,0,0]=4 6216 B13R1.894 Cc1cnc(c(n1)SC(C)(C)C)C 62a_100000211308_100000211941 [0,2,0,0,0,0|1,0,0]=3 6217 B13R1.894 Cc1cnc(c(n1)SC(C)(C)C)C 62a_100000211941_100000211308 [0,2,0,0,0,0|1,0,0]=3 6218 B13R1.894 Cc1cnc(c(n1)SC(C)(C)C)N 62a_100000211941_100009819049 [0,2,0,0,0,0|2,0,0]=4 6219 B13R1.894 Cc1cnc(c(n1)SC(C)(C)C)N 62a_100009819049_100000211941 [0,2,0,0,0,0|2,0,0]=4 6220 B13R1.894 Cc1ncc(cc1OC(C)(C)C)Br 34a_100009864810_100000210625 [0,2,0,0,0,0|2,0,0]=4 6221 B13R1.894 Cc1ncc(cc1SC(C)(C)C)Br 62a_100000211941_200010090566 [0,2,0,0,0,0|2,0,0]=4 6222 B13R1.894 Cc1ncc(cc1SC(C)(C)C)Br 62a_200010090566_100000211941 [0,2,0,0,0,0|2,0,0]=4 6223 B13R1.894 Cc1ncc(cc1SC(C)(C)C)F 62a_100000211941_100009860710 [0,2,0,0,0,0|2,0,0]=4 6224 B13R1.894 Cc1ncc(cc1SC(C)(C)C)F 62a_100009860710_100000211941 [0,2,0,0,0,0|2,0,0]=4 6225 B13R1.894 Cc1ncc(cc1SC(C)(C)C)N 62a_100000211941_100011998591 [0,2,0,0,0,0|2,0,0]=4 6226 B13R1.894 Cc1ncc(cc1SC(C)(C)C)N 62a_100011998591_100000211941 [0,2,0,0,0,0|2,0,0]=4 6227 B13R1.894 Cc1ncc(cc1SC(C)(C)C)O 62a_100000211941_100009819603 [0,2,0,0,0,0|2,0,0]=4 6228 B13R1.894 Cc1ncc(cc1SC(C)(C)C)O 62a_100009819603_100000211941 [0,2,0,0,0,0|2,0,0]=4 6229 B13R1.894 Cc1ncc(nc1SC(C)(C)C)N 62a_100000211941_100009877824 [0,2,0,0,0,0|1,0,0]=3 6230 B13R1.894 Cc1ncc(nc1SC(C)(C)C)N 62a_100009877824_100000211941 [0,2,0,0,0,0|1,0,0]=3 6231 B13R1.2872 C#CC(C)Nc1nc(cnc1C)C 27a_100000707721_100000211308 [0,2,0,0,0,0|1,0,1]=4 6232 B13R1.2872 C#CC(C)Sc1nc(cnc1C)C 62a_200000035995_100000211308 [0,2,0,0,0,0|1,0,1]=4 6233 B13R1.2872 C#CC(C)Sc1nc(cnc1C)N 62a_200000035995_100009877824 [0,2,0,0,0,0|1,0,1]=4 6234 B13R1.2872 C=CC(C)Sc1nc(cnc1C)C 62a_100011215867_100000211308 [0,2,0,0,0,0|1,0,1]=4 6235 B13R1.2872 C=CC(C)Sc1nc(cnc1C)N 62a_100011215867_100009877824 [0,2,0,0,0,0|1,0,1]=4 6236 B13R1.2872 CC(CO)Sc1nc(cnc1N)Br 62a_100012180447_100010988662 [0,2,0,0,0,0|2,0,0]=4 6237 B13R1.2872 CCC(C)Oc1cc(cnc1C)Br 34a_100009864810_100011215416 [0,2,0,0,0,0|2,0,0]=4 6238 B13R1.2872 CCC(C)Oc1cc(cnc1C)Br 7a_100009864810_100000758301 [0,2,0,0,0,0|2,0,0]=4 6239 B13R1.2872 CCC(C)Sc1cc(cnc1C)Br 62a_100000758301_200010090566 [0,2,0,0,0,0|2,0,0]=4 6240 B13R1.2872 CCC(C)Sc1cc(cnc1C)Br 62a_200010090566_100000758301 [0,2,0,0,0,0|2,0,0]=4 6241 B13R1.2872 CCC(C)Sc1cc(cnc1C)C 62a_100000758301_100009817436 [0,2,0,0,0,0|2,0,0]=4 6242 B13R1.2872 CCC(C)Sc1cc(cnc1C)C 62a_100009817436_100000758301 [0,2,0,0,0,0|2,0,0]=4 6243 B13R1.2872 CCC(C)Sc1cc(cnc1C)F 62a_100000758301_100009860710 [0,2,0,0,0,0|2,0,0]=4 6244 B13R1.2872 CCC(C)Sc1cc(cnc1C)F 62a_100009860710_100000758301 [0,2,0,0,0,0|2,0,0]=4 6245 B13R1.2872 CCC(C)Sc1cc(cnc1C)N 62a_100000758301_100011998591 [0,2,0,0,0,0|2,0,0]=4 6246 B13R1.2872 CCC(C)Sc1cc(cnc1C)N 62a_100011998591_100000758301 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.2872 CCC(C)Sc1cc(cnc1C)O 62a_100000758301_100009819603 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.2872 CCC(C)Sc1cc(cnc1C)O 62a_100009819603_100000758301 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.2872 CCC(C)Sc1nc(ccc1C)C 62a_100000758301_100009854376 [0,2,0,0,0,0|2,0,0]=4 6250 B13R1.2872 CCC(C)Sc1nc(ccc1C)C 62a_100009854376_100000758301 [0,2,0,0,0,0|2,0,0]=4 6251 B13R1.2872 CCC(C)Sc1nc(ccc1C)N 62a_100000126722_100000758301 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.2872 CCC(C)Sc1nc(ccc1C)N 62a_100000758301_100000126722 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.2872 CCC(C)Sc1nc(cnc1C)C 62a_100000211308_100000758301 [0,2,0,0,0,0|1,0,0]=3 6254 B13R1.2872 CCC(C)Sc1nc(cnc1C)C 62a_100000758301_100000211308 [0,2,0,0,0,0|1,0,0]=3 6255 B13R1.2872 CCC(C)Sc1nc(cnc1C)N 62a_100000758301_100009877824 [0,2,0,0,0,0|1,0,0]=3 6256 B13R1.2872 CCC(C)Sc1nc(cnc1C)N 62a_100009877824_100000758301 [0,2,0,0,0,0|1,0,0]=3 6257 B13R1.2872 CCC(C)Sc1nc(cnc1N)Br 62a_100000758301_100010988662 [0,2,0,0,0,0|2,0,0]=4 6258 B13R1.2872 CCC(C)Sc1nc(cnc1N)Br 62a_100010988662_100000758301 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.2872 CCC(C)Sc1nc(cnc1N)C 62a_100000758301_100009819049 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.2872 CCC(C)Sc1nc(cnc1N)C 62a_100009819049_100000758301 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.2872 COC(C)Sc1cc(cnc1C)Br 62a_100009879195_200010090566 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.2872 COC(C)Sc1cc(cnc1C)Br 62a_200010090566_100009879195 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.2872 COC(C)Sc1cc(cnc1C)C 62a_100009817436_100009879195 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.2872 COC(C)Sc1cc(cnc1C)C 62a_100009879195_100009817436 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.2872 COC(C)Sc1cc(cnc1C)F 62a_100009860710_100009879195 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.2872 COC(C)Sc1cc(cnc1C)F 62a_100009879195_100009860710 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.2872 COC(C)Sc1cc(cnc1C)N 62a_100009879195_100011998591 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.2872 COC(C)Sc1cc(cnc1C)N 62a_100011998591_100009879195 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.2872 COC(C)Sc1cc(cnc1C)O 62a_100009819603_100009879195 [0,2,0,0,0,0|2,0,0]=4 6270 B13R1.2872 COC(C)Sc1cc(cnc1C)O 62a_100009879195_100009819603 [0,2,0,0,0,0|2,0,0]=4 6271 B13R1.2872 COC(C)Sc1nc(ccc1C)C 62a_100009854376_100009879195 [0,2,0,0,0,0|2,0,0]=4 6272 B13R1.2872 COC(C)Sc1nc(ccc1C)C 62a_100009879195_100009854376 [0,2,0,0,0,0|2,0,0]=4 6273 B13R1.2872 COC(C)Sc1nc(ccc1C)N 62a_100000126722_100009879195 [0,2,0,0,0,0|2,0,0]=4 6274 B13R1.2872 COC(C)Sc1nc(ccc1C)N 62a_100009879195_100000126722 [0,2,0,0,0,0|2,0,0]=4 6275 B13R1.2872 COC(C)Sc1nc(cnc1C)C 62a_100000211308_100009879195 [0,2,0,0,0,0|1,0,0]=3 6276 B13R1.2872 COC(C)Sc1nc(cnc1C)C 62a_100009879195_100000211308 [0,2,0,0,0,0|1,0,0]=3 6277 B13R1.2872 COC(C)Sc1nc(cnc1C)N 62a_100009877824_100009879195 [0,2,0,0,0,0|1,0,0]=3 6278 B13R1.2872 COC(C)Sc1nc(cnc1C)N 62a_100009879195_100009877824 [0,2,0,0,0,0|1,0,0]=3 6279 B13R1.2872 COC(C)Sc1nc(cnc1N)Br 62a_100009879195_100010988662 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.2872 COC(C)Sc1nc(cnc1N)Br 62a_100010988662_100009879195 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.2872 COC(C)Sc1nc(cnc1N)C 62a_100009819049_100009879195 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.2872 COC(C)Sc1nc(cnc1N)C 62a_100009879195_100009819049 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.2872 C[C@H](CO)Sc1nc(cnc1N)Br 62a_100010988662_100016084084 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.2872 C[C@H](CO)Sc1nc(cnc1N)Br 62a_100016084084_100010988662 [0,2,0,0,0,0|2,0,0]=4 6285 B13R1.2872 Cc1ccc(c(n1)SC(C)CO)C 62a_100012180447_100009854376 [0,2,0,0,0,0|2,0,0]=4 6286 B13R1.2872 Cc1ccc(c(n1)S[C@H](C)CO)C 62a_100009854376_100016084084 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.2872 Cc1ccc(c(n1)S[C@H](C)CO)C 62a_100016084084_100009854376 [0,2,0,0,0,0|2,0,0]=4 6288 B13R1.2872 Cc1ccc(nc1SC(C)CO)N 62a_100012180447_100000126722 [0,2,0,0,0,0|2,0,0]=4 6289 B13R1.2872 Cc1ccc(nc1S[C@H](C)CO)N 62a_100000126722_100016084084 [0,2,0,0,0,0|2,0,0]=4 6290 B13R1.2872 Cc1ccc(nc1S[C@H](C)CO)N 62a_100016084084_100000126722 [0,2,0,0,0,0|2,0,0]=4 6291 B13R1.2872 Cc1cnc(c(c1)SC(C)CO)C 62a_100012180447_100009817436 [0,2,0,0,0,0|2,0,0]=4 6292 B13R1.2872 Cc1cnc(c(c1)S[C@H](C)CO)C 62a_100009817436_100016084084 [0,2,0,0,0,0|2,0,0]=4 6293 B13R1.2872 Cc1cnc(c(c1)S[C@H](C)CO)C 62a_100016084084_100009817436 [0,2,0,0,0,0|2,0,0]=4 6294 B13R1.2872 Cc1cnc(c(n1)N[C@H](C)CF)C 27a_100102880703_100000211308 [0,2,0,0,0,0|1,0,0]=3 6295 B13R1.2872 Cc1cnc(c(n1)N[C@H](C)CO)C 27a_100000737577_100000211308 [0,2,0,0,0,0|1,0,0]=3 6296 B13R1.2872 Cc1cnc(c(n1)SC(C)C#N)C 62a_100000211308_100000703298 [0,2,0,0,0,0|1,0,1]=4 6297 B13R1.2872 Cc1cnc(c(n1)SC(C)C#N)C 62a_100000703298_100000211308 [0,2,0,0,0,0|1,0,1]=4 6298 B13R1.2872 Cc1cnc(c(n1)SC(C)CO)C 62a_100012180447_100000211308 [0,2,0,0,0,0|1,0,0]=3 6299 B13R1.2872 Cc1cnc(c(n1)SC(C)CO)N 62a_100012180447_100009819049 [0,2,0,0,0,0|2,0,0]=4 6300 B13R1.2872 Cc1cnc(c(n1)S[C@H](C)CO)C 62a_100000211308_100016084084 [0,2,0,0,0,0|1,0,0]=3 6301 B13R1.2872 Cc1cnc(c(n1)S[C@H](C)CO)C 62a_100016084084_100000211308 [0,2,0,0,0,0|1,0,0]=3 6302 B13R1.2872 Cc1cnc(c(n1)S[C@H](C)CO)N 62a_100009819049_100016084084 [0,2,0,0,0,0|2,0,0]=4 6303 B13R1.2872 Cc1cnc(c(n1)S[C@H](C)CO)N 62a_100016084084_100009819049 [0,2,0,0,0,0|2,0,0]=4 6304 B13R1.2872 Cc1ncc(cc1OC(C)CO)Br 34a_100009864810_100012180447 [0,2,0,0,0,0|2,0,0]=4 6305 B13R1.2872 Cc1ncc(cc1OC(C)CO)Br 7a_100009864810_100012180447 [0,2,0,0,0,0|2,0,0]=4 6306 B13R1.2872 Cc1ncc(cc1SC(C)CO)Br 62a_100012180447_200010090566 [0,2,0,0,0,0|2,0,0]=4 6307 B13R1.2872 Cc1ncc(cc1SC(C)CO)F 62a_100012180447_100009860710 [0,2,0,0,0,0|2,0,0]=4 6308 B13R1.2872 Cc1ncc(cc1SC(C)CO)N 62a_100012180447_100011998591 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.2872 Cc1ncc(cc1SC(C)CO)O 62a_100012180447_100009819603 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)Br 62a_100016084084_200010090566 [0,2,0,0,0,0|2,0,0]=4 6311 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)Br 62a_200010090566_100016084084 [0,2,0,0,0,0|2,0,0]=4 6312 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)F 62a_100009860710_100016084084 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)F 62a_100016084084_100009860710 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)N 62a_100011998591_100016084084 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)N 62a_100016084084_100011998591 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)O 62a_100009819603_100016084084 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.2872 Cc1ncc(cc1S[C@H](C)CO)O 62a_100016084084_100009819603 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.2872 Cc1ncc(nc1SC(C)C#N)N 62a_100000703298_100009877824 [0,2,0,0,0,0|1,0,1]=4 6319 B13R1.2872 Cc1ncc(nc1SC(C)C#N)N 62a_100009877824_100000703298 [0,2,0,0,0,0|1,0,1]=4 6320 B13R1.2872 Cc1ncc(nc1SC(C)CO)N 62a_100012180447_100009877824 [0,2,0,0,0,0|1,0,0]=3 6321 B13R1.2872 Cc1ncc(nc1S[C@H](C)CO)N 62a_100009877824_100016084084 [0,2,0,0,0,0|1,0,0]=3 6322 B13R1.2872 Cc1ncc(nc1S[C@H](C)CO)N 62a_100016084084_100009877824 [0,2,0,0,0,0|1,0,0]=3 6323 B13R1.151 Cc1c(ccnc1OC(C)(C)C)Br 34a_100009858498_100000210625 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.151 Cc1c(ccnc1SC(C)(C)C)F 62a_100000211941_100009846374 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.151 Cc1c(ccnc1SC(C)(C)C)F 62a_100009846374_100000211941 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.151 Cc1c(ccnc1SC(C)(C)C)N 62a_100000211941_100000690622 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.151 Cc1c(ccnc1SC(C)(C)C)N 62a_100000690622_100000211941 [0,2,0,0,0,0|2,0,0]=4 6328 B13R1.151 Cc1ccnc(c1C)SC(C)(C)C 62a_100000211941_100009847204 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.151 Cc1ccnc(c1C)SC(C)(C)C 62a_100009847204_100000211941 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.275 C#CC(C)(C)Oc1cccnc1C 34a_100000745507_100000038118 [0,2,0,0,0,0|2,0,0]=4 6331 B13R1.275 C#CC(C)(C)Oc1nccnc1C 34a_100000766352_100000038118 [0,2,0,0,0,0|1,0,0]=3 6332 B13R1.275 C#CC(C)(C)Sc1cccnc1C 62a_100000038118_100000751574 [0,2,0,0,0,0|2,0,0]=4 6333 B13R1.275 C#CC(C)(C)Sc1cccnc1C 62a_100000751574_100000038118 [0,2,0,0,0,0|2,0,0]=4 6334 B13R1.275 C#CC(C)(C)Sc1ncccc1C 62a_100000038118_100000751373 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.275 C#CC(C)(C)Sc1ncccc1C 62a_100000751373_100000038118 [0,2,0,0,0,0|2,0,0]=4 6336 B13R1.275 C#CC(C)(C)Sc1nccnc1C 62a_100000038118_100011999405 [0,2,0,0,0,0|1,0,0]=3 6337 B13R1.275 C#CC(C)(C)Sc1nccnc1C 62a_100011999405_100000038118 [0,2,0,0,0,0|1,0,0]=3 6338 B13R1.275 C#CC(C)(C)Sc1nccnc1Cl 62a_100000038118_100010886584 [0,2,0,0,0,0|2,0,0]=4 6339 B13R1.275 C#CC(C)(C)Sc1nccnc1Cl 62a_100010886584_100000038118 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.275 C#CC(C)(C)Sc1nccnc1F 62a_100000038118_200010125657 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.275 C#CC(C)(C)Sc1nccnc1F 62a_200010125657_100000038118 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.275 C#CC(C)(C)Sc1nccnc1N 62a_100000038118_100000747729 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.275 C#CC(C)(C)Sc1nccnc1N 62a_100000747729_100000038118 [0,2,0,0,0,0|2,0,0]=4 6344 B13R1.275 CC(C)(C#N)Sc1nccnc1Cl 62a_100010886584_100011162410 [0,2,0,0,0,0|2,0,0]=4 6345 B13R1.275 CC(C)(C#N)Sc1nccnc1Cl 62a_100011162410_100010886584 [0,2,0,0,0,0|2,0,0]=4 6346 B13R1.275 CC(C)(C#N)Sc1nccnc1F 62a_100011162410_200010125657 [0,2,0,0,0,0|2,0,0]=4 6347 B13R1.275 CC(C)(C#N)Sc1nccnc1F 62a_200010125657_100011162410 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.275 CC(C)(C#N)Sc1nccnc1N 62a_100000747729_100011162410 [0,2,0,0,0,0|2,0,0]=4 6349 B13R1.275 CC(C)(C#N)Sc1nccnc1N 62a_100011162410_100000747729 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.275 CC(C)(CO)Nc1nccnc1F 27a_100000210608_200010125657 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.275 CCC(C)(C)Nc1nccnc1C 27a_100000211385_100011999405 [0,2,0,0,0,0|1,0,0]=3 6352 B13R1.275 CCC(C)(C)Nc1nccnc1F 27a_100000211385_200010125657 [0,2,0,0,0,0|2,0,0]=4 6353 B13R1.275 CCC(C)(C)Oc1cccnc1C 7a_100000745507_100000210677 [0,2,0,0,0,0|2,0,0]=4 6354 B13R1.275 CCC(C)(C)Sc1cccnc1C 62a_100000032637_100000751574 [0,2,0,0,0,0|2,0,0]=4 6355 B13R1.275 CCC(C)(C)Sc1cccnc1C 62a_100000751574_100000032637 [0,2,0,0,0,0|2,0,0]=4 6356 B13R1.275 CCC(C)(C)Sc1ncccc1C 62a_100000032637_100000751373 [0,2,0,0,0,0|2,0,0]=4 6357 B13R1.275 CCC(C)(C)Sc1ncccc1C 62a_100000751373_100000032637 [0,2,0,0,0,0|2,0,0]=4 6358 B13R1.275 CCC(C)(C)Sc1nccnc1C 62a_100000032637_100011999405 [0,2,0,0,0,0|1,0,0]=3 6359 B13R1.275 CCC(C)(C)Sc1nccnc1C 62a_100011999405_100000032637 [0,2,0,0,0,0|1,0,0]=3 6360 B13R1.275 CCC(C)(C)Sc1nccnc1Cl 62a_100000032637_100010886584 [0,2,0,0,0,0|2,0,0]=4 6361 B13R1.275 CCC(C)(C)Sc1nccnc1Cl 62a_100010886584_100000032637 [0,2,0,0,0,0|2,0,0]=4 6362 B13R1.275 CCC(C)(C)Sc1nccnc1F 62a_100000032637_200010125657 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.275 CCC(C)(C)Sc1nccnc1F 62a_200010125657_100000032637 [0,2,0,0,0,0|2,0,0]=4 6364 B13R1.275 CCC(C)(C)Sc1nccnc1N 62a_100000032637_100000747729 [0,2,0,0,0,0|2,0,0]=4 6365 B13R1.275 CCC(C)(C)Sc1nccnc1N 62a_100000747729_100000032637 [0,2,0,0,0,0|2,0,0]=4 6366 B13R1.275 Cc1cccnc1SC(C)(C)C#N 62a_100000751373_100011162410 [0,2,0,0,0,0|2,0,0]=4 6367 B13R1.275 Cc1cccnc1SC(C)(C)C#N 62a_100011162410_100000751373 [0,2,0,0,0,0|2,0,0]=4 6368 B13R1.275 Cc1ncccc1OC(C)(C)C#N 34a_100000745507_100011162410 [0,2,0,0,0,0|2,0,0]=4 6369 B13R1.275 Cc1ncccc1OC(C)(C)C#N 7a_100000745507_100011162410 [0,2,0,0,0,0|2,0,0]=4 6370 B13R1.275 Cc1ncccc1SC(C)(C)C#N 62a_100000751574_100011162410 [0,2,0,0,0,0|2,0,0]=4 6371 B13R1.275 Cc1ncccc1SC(C)(C)C#N 62a_100011162410_100000751574 [0,2,0,0,0,0|2,0,0]=4 6372 B13R1.275 Cc1nccnc1NC(C)(C)CO 27a_100000210608_100011999405 [0,2,0,0,0,0|1,0,0]=3 6373 B13R1.275 Cc1nccnc1OC(C)(C)C#N 34a_100000766352_100011162410 [0,2,0,0,0,0|1,0,0]=3 6374 B13R1.275 Cc1nccnc1SC(C)(C)C#N 62a_100011162410_100011999405 [0,2,0,0,0,0|1,0,0]=3 6375 B13R1.275 Cc1nccnc1SC(C)(C)C#N 62a_100011999405_100011162410 [0,2,0,0,0,0|1,0,0]=3 6376 B13R1.275 Cc1nccnc1SC(F)(F)CO 62a_100011217949_100011999405 [0,2,0,0,0,0|2,0,0]=4 6377 B13R1.275 Cc1nccnc1SC(F)(F)CO 62a_100011999405_100011217949 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.883 CC(C)(C)Oc1ncc(nc1Cl)Br 34a_100010734560_100000210625 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.883 CC(C)(C)Sc1ncc(nc1Br)Br 62a_100000211941_100010235571 [0,2,0,0,0,0|2,0,0]=4 6380 B13R1.883 CC(C)(C)Sc1ncc(nc1Br)Br 62a_100010235571_100000211941 [0,2,0,0,0,0|2,0,0]=4 6381 B13R1.883 CC(C)(C)Sc1ncc(nc1Cl)Cl 62a_100000211941_100010173851 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.883 CC(C)(C)Sc1ncc(nc1Cl)N 62a_100000211941_100010116657 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.883 CC(C)(C)Sc1ncc(nc1Cl)N 62a_100010116657_100000211941 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.883 Cc1cc(cnc1OC(C)(C)C)Br 34a_100000685391_100000210625 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.883 Cc1cc(cnc1SC(C)(C)C)Br 62a_100000211941_100012353652 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.883 Cc1cc(cnc1SC(C)(C)C)Br 62a_100012353652_100000211941 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.883 Cc1cc(cnc1SC(C)(C)C)F 62a_100000211941_100009817009 [0,2,0,0,0,0|2,0,0]=4 6388 B13R1.883 Cc1cc(cnc1SC(C)(C)C)F 62a_100009817009_100000211941 [0,2,0,0,0,0|2,0,0]=4 6389 B13R1.883 Cc1cc(cnc1SC(C)(C)C)N 62a_100000211941_100000761747 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.883 Cc1cc(cnc1SC(C)(C)C)N 62a_100000761747_100000211941 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.883 Cc1cc(cnc1SC(C)(C)C)O 62a_100000211941_100012000486 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.883 Cc1cc(cnc1SC(C)(C)C)O 62a_100012000486_100000211941 [0,2,0,0,0,0|2,0,0]=4 6393 B13R1.883 Cc1ccc(c(n1)C)OC(C)(C)C 34a_100011218912_100000210625 [0,2,0,0,0,0|2,0,0]=4 6394 B13R1.883 Cc1ccc(c(n1)C)SC(C)(C)C 62a_100000211941_100009813853 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.883 Cc1ccc(c(n1)C)SC(C)(C)C 62a_100009813853_100000211941 [0,2,0,0,0,0|2,0,0]=4 6396 B13R1.883 Cc1cnc(c(c1)C)SC(C)(C)C 62a_100000211941_100009864548 [0,2,0,0,0,0|2,0,0]=4 6397 B13R1.883 Cc1cnc(c(c1)C)SC(C)(C)C 62a_100009864548_100000211941 [0,2,0,0,0,0|2,0,0]=4 6398 B13R1.883 Cc1cnc(c(n1)C)SC(C)(C)C 62a_100000065684_100000211941 [0,2,0,0,0,0|1,0,0]=3 6399 B13R1.883 Cc1cnc(c(n1)C)SC(C)(C)C 62a_100000211941_100000065684 [0,2,0,0,0,0|1,0,0]=3 6400 B13R1.883 Cc1nc(ccc1OC(C)(C)C)Br 34a_100012002022_100000210625 [0,2,0,0,0,0|2,0,0]=4 6401 B13R1.883 Cc1nc(ccc1OC(C)(C)C)Cl 34a_100012184626_100000210625 [0,2,0,0,0,0|2,0,0]=4 6402 B13R1.883 Cc1nc(ccc1OC(C)(C)C)F 34a_100009881036_100000210625 [0,2,0,0,0,0|2,0,0]=4 6403 B13R1.883 Cc1nc(ccc1OC(C)(C)C)I 34a_100010233687_100000210625 [0,2,0,0,0,0|2,0,0]=4 6404 B13R1.883 Cc1nc(ccc1SC(C)(C)C)Cl 62a_100000062408_100000211941 [0,2,0,0,0,0|2,0,0]=4 6405 B13R1.883 Cc1nc(ccc1SC(C)(C)C)Cl 62a_100000211941_100000062408 [0,2,0,0,0,0|2,0,0]=4 6406 B13R1.883 Cc1nc(ccc1SC(C)(C)C)F 62a_100000211941_100000688911 [0,2,0,0,0,0|2,0,0]=4 6407 B13R1.883 Cc1nc(ccc1SC(C)(C)C)F 62a_100000688911_100000211941 [0,2,0,0,0,0|2,0,0]=4 6408 B13R1.883 Cc1nc(ccc1SC(C)(C)C)N 62a_100000187202_100000211941 [0,2,0,0,0,0|2,0,0]=4 6409 B13R1.883 Cc1nc(ccc1SC(C)(C)C)N 62a_100000211941_100000187202 [0,2,0,0,0,0|2,0,0]=4 6410 B13R1.883 Cc1nc(ccc1SC(C)(C)C)O 62a_100000211941_100000691680 [0,2,0,0,0,0|2,0,0]=4 6411 B13R1.883 Cc1nc(ccc1SC(C)(C)C)O 62a_100000691680_100000211941 [0,2,0,0,0,0|2,0,0]=4 6412 B13R1.883 Cc1nc(cnc1SC(C)(C)C)N 62a_100000211941_100009818570 [0,2,0,0,0,0|1,0,0]=3 6413 B13R1.883 Cc1nc(cnc1SC(C)(C)C)N 62a_100009818570_100000211941 [0,2,0,0,0,0|1,0,0]=3 6414 B13R1.3788 Cc1ccnc(c1OC(C)(C)C)C 34a_100011934651_100000210625 [0,2,0,0,0,0|2,0,0]=4 6415 B13R1.3788 Cc1ccnc(c1SC(C)(C)C)C 62a_100000211941_100012000501 [0,2,0,0,0,0|2,0,0]=4 6416 B13R1.3788 Cc1ccnc(c1SC(C)(C)C)C 62a_100012000501_100000211941 [0,2,0,0,0,0|2,0,0]=4 6417 B13R1.3788 Cc1nccc(c1SC(C)(C)C)N 62a_100000211941_100010243816 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.3788 Cc1nccc(c1SC(C)(C)C)N 62a_100010243816_100000211941 [0,2,0,0,0,0|2,0,0]=4 6419 B13R1.40 CCC(C)Oc1nccc(c1C)Br 34a_100009858498_100011215416 [0,2,0,0,0,0|2,0,0]=4 6420 B13R1.40 CCC(C)Sc1nccc(c1C)C 62a_100000758301_100009847204 [0,2,0,0,0,0|2,0,0]=4 6421 B13R1.40 CCC(C)Sc1nccc(c1C)C 62a_100009847204_100000758301 [0,2,0,0,0,0|2,0,0]=4 6422 B13R1.40 CCC(C)Sc1nccc(c1C)F 62a_100000758301_100009846374 [0,2,0,0,0,0|2,0,0]=4 6423 B13R1.40 CCC(C)Sc1nccc(c1C)F 62a_100009846374_100000758301 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.40 CCC(C)Sc1nccc(c1C)N 62a_100000690622_100000758301 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.40 CCC(C)Sc1nccc(c1C)N 62a_100000758301_100000690622 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.40 CCN(C)Cc1nccc(c1C)Cl 2230a_100000225621_100020614443 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.40 CCN(C)Cc1nccc(c1C)Cl 269982a_100000225621_100020614443 [0,2,0,0,0,0|2,0,0]=4 6428 B13R1.40 CNC(C)Cc1cccc(c1C)F 270004a_106832991635_200000084601 [0,2,0,0,0,0|2,0,0]=4 6429 B13R1.40 COC(C)Sc1nccc(c1C)C 62a_100009847204_100009879195 [0,2,0,0,0,0|2,0,0]=4 6430 B13R1.40 COC(C)Sc1nccc(c1C)C 62a_100009879195_100009847204 [0,2,0,0,0,0|2,0,0]=4 6431 B13R1.40 COC(C)Sc1nccc(c1C)F 62a_100009846374_100009879195 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.40 COC(C)Sc1nccc(c1C)F 62a_100009879195_100009846374 [0,2,0,0,0,0|2,0,0]=4 6433 B13R1.40 COC(C)Sc1nccc(c1C)N 62a_100000690622_100009879195 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.40 COC(C)Sc1nccc(c1C)N 62a_100009879195_100000690622 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.40 Cc1c(ccnc1N[C@H](C)CF)F 27a_100102880703_100009846374 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.40 Cc1c(ccnc1N[C@H](C)CO)F 27a_100000737577_100009846374 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.40 Cc1c(ccnc1OC(C)CO)Br 34a_100009858498_100012180447 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.40 Cc1c(ccnc1SC(C)CO)F 62a_100012180447_100009846374 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.40 Cc1c(ccnc1SC(C)CO)N 62a_100012180447_100000690622 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.40 Cc1c(ccnc1S[C@H](C)CO)F 62a_100009846374_100016084084 [0,2,0,0,0,0|2,0,0]=4 6441 B13R1.40 Cc1c(ccnc1S[C@H](C)CO)F 62a_100016084084_100009846374 [0,2,0,0,0,0|2,0,0]=4 6442 B13R1.40 Cc1c(ccnc1S[C@H](C)CO)N 62a_100000690622_100016084084 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.40 Cc1c(ccnc1S[C@H](C)CO)N 62a_100016084084_100000690622 [0,2,0,0,0,0|2,0,0]=4 6444 B13R1.40 Cc1ccnc(c1C)SC(C)CO 62a_100012180447_100009847204 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.40 Cc1ccnc(c1C)S[C@H](C)CO 62a_100009847204_100016084084 [0,2,0,0,0,0|2,0,0]=4 6446 B13R1.40 Cc1ccnc(c1C)S[C@H](C)CO 62a_100016084084_100009847204 [0,2,0,0,0,0|2,0,0]=4 6447 B13R1.641 COc1ccnc(c1C)CN(C)C 2230a_100102631434_100016994983 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.641 COc1ccnc(c1C)SC(C)C 62a_100000210206_100010067686 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.641 COc1ccnc(c1C)SC(C)C 62a_100010067686_100000210206 [0,2,0,0,0,0|2,0,0]=4 6450 B13R1.641 Cc1c(ccnc1NC(C)C)C#N 27a_100138425928_100009841936 [0,2,0,0,0,0|2,0,0]=4 6451 B13R1.641 Cc1c(ccnc1SC(C)C)C#N 62a_100000210206_100009841936 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.641 Cc1c(ccnc1SC(C)C)C=O 62a_100000096011_100000210206 [0,2,0,0,0,0|2,0,0]=4 6453 B13R1.641 Cc1c(ccnc1SC(C)C)C=O 62a_100000210206_100000096011 [0,2,0,0,0,0|2,0,0]=4 6454 B13R1.3528 Cc1c(cnc(c1C)OC(C)C)Br 34a_200011099879_100000210206 [0,2,0,0,0,0|2,0,0]=4 6455 B13R1.653 COc1ccc(c(n1)C)CN(C)C 270004a_100102631434_100000101190 [0,2,0,0,0,0|2,0,0]=4 6456 B13R1.653 COc1ccc(c(n1)C)OC(C)C 34a_200009873766_100000210206 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.653 COc1ccc(c(n1)C)SC(C)C 62a_100000210206_100000766551 [0,2,0,0,0,0|2,0,0]=4 6458 B13R1.653 COc1ccc(c(n1)C)SC(C)C 62a_100000766551_100000210206 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.653 COc1cnc(c(c1)C)SC(C)C 62a_100000210206_200009851512 [0,2,0,0,0,0|2,0,0]=4 6460 B13R1.653 COc1cnc(c(n1)C)C=C(C)C 271570a_100102525489_200010730098 [0,2,0,0,0,0|0,0,2]=4 6461 B13R1.653 COc1cnc(c(n1)C)SC(C)C 62a_100000210206_200010730098 [0,2,0,0,0,0|1,0,0]=3 6462 B13R1.653 COc1cnc(c(n1)C)SC(C)C 62a_200010730098_100000210206 [0,2,0,0,0,0|1,0,0]=3 6463 B13R1.653 COc1cnc(c(n1)N)SC(C)C 62a_100000210206_100009955223 [0,2,0,0,0,0|2,0,0]=4 6464 B13R1.653 COc1cnc(c(n1)N)SC(C)C 62a_100009955223_100000210206 [0,2,0,0,0,0|2,0,0]=4 6465 B13R1.653 CSc1cnc(c(c1)C)NC(C)C 27a_100138425928_203440288091 [0,2,0,0,0,0|2,0,0]=4 6466 B13R1.653 CSc1cnc(c(c1)C)SC(C)C 62a_100000210206_203440288091 [0,2,0,0,0,0|2,0,0]=4 6467 B13R1.653 CSc1cnc(c(c1)C)SC(C)C 62a_203440288091_100000210206 [0,2,0,0,0,0|2,0,0]=4 6468 B13R1.653 Cc1cc(cnc1NC(C)C)C#N 27a_100138425928_100000719225 [0,2,0,0,0,0|2,0,0]=4 6469 B13R1.653 Cc1cc(cnc1SC(C)C)C#N 62a_100000210206_100000719225 [0,2,0,0,0,0|2,0,0]=4 6470 B13R1.653 Cc1cc(cnc1SC(C)C)C=O 62a_100000070293_100000210206 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.653 Cc1cc(cnc1SC(C)C)C=O 62a_100000210206_100000070293 [0,2,0,0,0,0|2,0,0]=4 6472 B13R1.653 Cc1cc(cnc1SC(C)C)CO 62a_100000210206_200000092119 [0,2,0,0,0,0|2,0,0]=4 6473 B13R1.653 Cc1cc(cnc1SC(C)C)CO 62a_200000092119_100000210206 [0,2,0,0,0,0|2,0,0]=4 6474 B13R1.653 Cc1nc(ccc1SC(C)C)C#N 62a_100000210206_100009884075 [0,2,0,0,0,0|2,0,0]=4 6475 B13R1.653 Cc1nc(ccc1SC(C)C)C=O 62a_100000210206_100010238520 [0,2,0,0,0,0|2,0,0]=4 6476 B13R1.653 Cc1nc(ccc1SC(C)C)C=O 62a_100010238520_100000210206 [0,2,0,0,0,0|2,0,0]=4 6477 B13R1.653 Cc1nc(ccc1SC(C)C)CO 62a_100000210206_100010114280 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.653 Cc1nc(ccc1SC(C)C)CO 62a_100010114280_100000210206 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.2679 C#CC(C)Sc1ncc(nc1C)C 62a_200000035995_100000065684 [0,2,0,0,0,0|1,0,1]=4 6480 B13R1.2679 C#CC(C)Sc1ncc(nc1C)N 62a_200000035995_100009818570 [0,2,0,0,0,0|1,0,1]=4 6481 B13R1.2679 C=CC(C)Sc1ncc(nc1C)C 62a_100011215867_100000065684 [0,2,0,0,0,0|1,0,1]=4 6482 B13R1.2679 C=CC(C)Sc1ncc(nc1C)N 62a_100011215867_100009818570 [0,2,0,0,0,0|1,0,1]=4 6483 B13R1.2679 CC(CO)Oc1ncc(nc1Cl)Br 34a_100010734560_100012180447 [0,2,0,0,0,0|2,0,0]=4 6484 B13R1.2679 CC(CO)Sc1ncc(nc1Br)Br 62a_100012180447_100010235571 [0,2,0,0,0,0|2,0,0]=4 6485 B13R1.2679 CC(CO)Sc1ncc(nc1Cl)Cl 62a_100012180447_100010173851 [0,2,0,0,0,0|2,0,0]=4 6486 B13R1.2679 CC(CO)Sc1ncc(nc1Cl)N 62a_100012180447_100010116657 [0,2,0,0,0,0|2,0,0]=4 6487 B13R1.2679 CCC(C)Oc1ccc(nc1C)Br 34a_100012002022_100011215416 [0,2,0,0,0,0|2,0,0]=4 6488 B13R1.2679 CCC(C)Oc1ccc(nc1C)Br 7a_100012002022_100000758301 [0,2,0,0,0,0|2,0,0]=4 6489 B13R1.2679 CCC(C)Oc1ccc(nc1C)C 34a_100011218912_100011215416 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.2679 CCC(C)Oc1ccc(nc1C)C 7a_100011218912_100000758301 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.2679 CCC(C)Oc1ccc(nc1C)Cl 34a_100012184626_100011215416 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.2679 CCC(C)Oc1ccc(nc1C)Cl 7a_100012184626_100000758301 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.2679 CCC(C)Oc1ccc(nc1C)F 34a_100009881036_100011215416 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.2679 CCC(C)Oc1ccc(nc1C)F 7a_100009881036_100000758301 [0,2,0,0,0,0|2,0,0]=4 6495 B13R1.2679 CCC(C)Oc1ccc(nc1C)I 34a_100010233687_100011215416 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.2679 CCC(C)Oc1ccc(nc1C)I 7a_100010233687_100000758301 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.2679 CCC(C)Oc1ncc(cc1C)Br 34a_100000685391_100011215416 [0,2,0,0,0,0|2,0,0]=4 6498 B13R1.2679 CCC(C)Oc1ncc(nc1Cl)Br 34a_100010734560_100011215416 [0,2,0,0,0,0|2,0,0]=4 6499 B13R1.2679 CCC(C)Sc1ccc(nc1C)C 62a_100000758301_100009813853 [0,2,0,0,0,0|2,0,0]=4 6500 B13R1.2679 CCC(C)Sc1ccc(nc1C)C 62a_100009813853_100000758301 [0,2,0,0,0,0|2,0,0]=4 6501 B13R1.2679 CCC(C)Sc1ccc(nc1C)Cl 62a_100000062408_100000758301 [0,2,0,0,0,0|2,0,0]=4 6502 B13R1.2679 CCC(C)Sc1ccc(nc1C)Cl 62a_100000758301_100000062408 [0,2,0,0,0,0|2,0,0]=4 6503 B13R1.2679 CCC(C)Sc1ccc(nc1C)F 62a_100000688911_100000758301 [0,2,0,0,0,0|2,0,0]=4 6504 B13R1.2679 CCC(C)Sc1ccc(nc1C)F 62a_100000758301_100000688911 [0,2,0,0,0,0|2,0,0]=4 6505 B13R1.2679 CCC(C)Sc1ccc(nc1C)N 62a_100000187202_100000758301 [0,2,0,0,0,0|2,0,0]=4 6506 B13R1.2679 CCC(C)Sc1ccc(nc1C)N 62a_100000758301_100000187202 [0,2,0,0,0,0|2,0,0]=4 6507 B13R1.2679 CCC(C)Sc1ccc(nc1C)O 62a_100000691680_100000758301 [0,2,0,0,0,0|2,0,0]=4 6508 B13R1.2679 CCC(C)Sc1ccc(nc1C)O 62a_100000758301_100000691680 [0,2,0,0,0,0|2,0,0]=4 6509 B13R1.2679 CCC(C)Sc1ncc(cc1C)Br 62a_100000758301_100012353652 [0,2,0,0,0,0|2,0,0]=4 6510 B13R1.2679 CCC(C)Sc1ncc(cc1C)Br 62a_100012353652_100000758301 [0,2,0,0,0,0|2,0,0]=4 6511 B13R1.2679 CCC(C)Sc1ncc(cc1C)C 62a_100000758301_100009864548 [0,2,0,0,0,0|2,0,0]=4 6512 B13R1.2679 CCC(C)Sc1ncc(cc1C)C 62a_100009864548_100000758301 [0,2,0,0,0,0|2,0,0]=4 6513 B13R1.2679 CCC(C)Sc1ncc(cc1C)F 62a_100000758301_100009817009 [0,2,0,0,0,0|2,0,0]=4 6514 B13R1.2679 CCC(C)Sc1ncc(cc1C)F 62a_100009817009_100000758301 [0,2,0,0,0,0|2,0,0]=4 6515 B13R1.2679 CCC(C)Sc1ncc(cc1C)N 62a_100000758301_100000761747 [0,2,0,0,0,0|2,0,0]=4 6516 B13R1.2679 CCC(C)Sc1ncc(cc1C)N 62a_100000761747_100000758301 [0,2,0,0,0,0|2,0,0]=4 6517 B13R1.2679 CCC(C)Sc1ncc(cc1C)O 62a_100000758301_100012000486 [0,2,0,0,0,0|2,0,0]=4 6518 B13R1.2679 CCC(C)Sc1ncc(cc1C)O 62a_100012000486_100000758301 [0,2,0,0,0,0|2,0,0]=4 6519 B13R1.2679 CCC(C)Sc1ncc(nc1Br)Br 62a_100000758301_100010235571 [0,2,0,0,0,0|2,0,0]=4 6520 B13R1.2679 CCC(C)Sc1ncc(nc1Br)Br 62a_100010235571_100000758301 [0,2,0,0,0,0|2,0,0]=4 6521 B13R1.2679 CCC(C)Sc1ncc(nc1C)C 62a_100000065684_100000758301 [0,2,0,0,0,0|1,0,0]=3 6522 B13R1.2679 CCC(C)Sc1ncc(nc1C)C 62a_100000758301_100000065684 [0,2,0,0,0,0|1,0,0]=3 6523 B13R1.2679 CCC(C)Sc1ncc(nc1C)N 62a_100000758301_100009818570 [0,2,0,0,0,0|1,0,0]=3 6524 B13R1.2679 CCC(C)Sc1ncc(nc1C)N 62a_100009818570_100000758301 [0,2,0,0,0,0|1,0,0]=3 6525 B13R1.2679 CCC(C)Sc1ncc(nc1Cl)Cl 62a_100000758301_100010173851 [0,2,0,0,0,0|2,0,0]=4 6526 B13R1.2679 CCC(C)Sc1ncc(nc1Cl)N 62a_100000758301_100010116657 [0,2,0,0,0,0|2,0,0]=4 6527 B13R1.2679 CCC(C)Sc1ncc(nc1Cl)N 62a_100010116657_100000758301 [0,2,0,0,0,0|2,0,0]=4 6528 B13R1.2679 CCN(C)Cc1ncc(cc1C)C 2230a_100000225621_100016990036 [0,2,0,0,0,0|2,0,0]=4 6529 B13R1.2679 CCN(C)Cc1ncc(cc1C)C 269982a_100000225621_100016990036 [0,2,0,0,0,0|2,0,0]=4 6530 B13R1.2679 CNC(C)Cc1ccc(cc1C)C 270004a_106832991635_200000075425 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.2679 COC(C)Sc1ccc(nc1C)C 62a_100009813853_100009879195 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.2679 COC(C)Sc1ccc(nc1C)C 62a_100009879195_100009813853 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.2679 COC(C)Sc1ccc(nc1C)Cl 62a_100000062408_100009879195 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.2679 COC(C)Sc1ccc(nc1C)Cl 62a_100009879195_100000062408 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.2679 COC(C)Sc1ccc(nc1C)F 62a_100000688911_100009879195 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.2679 COC(C)Sc1ccc(nc1C)F 62a_100009879195_100000688911 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.2679 COC(C)Sc1ccc(nc1C)N 62a_100000187202_100009879195 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.2679 COC(C)Sc1ccc(nc1C)N 62a_100009879195_100000187202 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.2679 COC(C)Sc1ccc(nc1C)O 62a_100000691680_100009879195 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.2679 COC(C)Sc1ccc(nc1C)O 62a_100009879195_100000691680 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.2679 COC(C)Sc1ncc(cc1C)Br 62a_100009879195_100012353652 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.2679 COC(C)Sc1ncc(cc1C)Br 62a_100012353652_100009879195 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.2679 COC(C)Sc1ncc(cc1C)C 62a_100009864548_100009879195 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.2679 COC(C)Sc1ncc(cc1C)C 62a_100009879195_100009864548 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.2679 COC(C)Sc1ncc(cc1C)F 62a_100009817009_100009879195 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.2679 COC(C)Sc1ncc(cc1C)F 62a_100009879195_100009817009 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.2679 COC(C)Sc1ncc(cc1C)N 62a_100000761747_100009879195 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.2679 COC(C)Sc1ncc(cc1C)N 62a_100009879195_100000761747 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.2679 COC(C)Sc1ncc(cc1C)O 62a_100009879195_100012000486 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.2679 COC(C)Sc1ncc(cc1C)O 62a_100012000486_100009879195 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.2679 COC(C)Sc1ncc(nc1Br)Br 62a_100009879195_100010235571 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.2679 COC(C)Sc1ncc(nc1Br)Br 62a_100010235571_100009879195 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.2679 COC(C)Sc1ncc(nc1C)C 62a_100000065684_100009879195 [0,2,0,0,0,0|1,0,0]=3 6554 B13R1.2679 COC(C)Sc1ncc(nc1C)C 62a_100009879195_100000065684 [0,2,0,0,0,0|1,0,0]=3 6555 B13R1.2679 COC(C)Sc1ncc(nc1C)N 62a_100009818570_100009879195 [0,2,0,0,0,0|1,0,0]=3 6556 B13R1.2679 COC(C)Sc1ncc(nc1C)N 62a_100009879195_100009818570 [0,2,0,0,0,0|1,0,0]=3 6557 B13R1.2679 COC(C)Sc1ncc(nc1Cl)Cl 62a_100009879195_100010173851 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.2679 COC(C)Sc1ncc(nc1Cl)N 62a_100009879195_100010116657 [0,2,0,0,0,0|2,0,0]=4 6559 B13R1.2679 COC(C)Sc1ncc(nc1Cl)N 62a_100010116657_100009879195 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.2679 C[C@H](CO)Sc1ncc(nc1Br)Br 62a_100010235571_100016084084 [0,2,0,0,0,0|2,0,0]=4 6561 B13R1.2679 C[C@H](CO)Sc1ncc(nc1Br)Br 62a_100016084084_100010235571 [0,2,0,0,0,0|2,0,0]=4 6562 B13R1.2679 C[C@H](CO)Sc1ncc(nc1Cl)Cl 62a_100016084084_100010173851 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.2679 C[C@H](CO)Sc1ncc(nc1Cl)N 62a_100010116657_100016084084 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.2679 C[C@H](CO)Sc1ncc(nc1Cl)N 62a_100016084084_100010116657 [0,2,0,0,0,0|2,0,0]=4 6565 B13R1.2679 Cc1cc(cnc1OC(C)CO)Br 34a_100000685391_100012180447 [0,2,0,0,0,0|2,0,0]=4 6566 B13R1.2679 Cc1cc(cnc1SC(C)CO)Br 62a_100012180447_100012353652 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.2679 Cc1cc(cnc1SC(C)CO)F 62a_100012180447_100009817009 [0,2,0,0,0,0|2,0,0]=4 6568 B13R1.2679 Cc1cc(cnc1SC(C)CO)N 62a_100012180447_100000761747 [0,2,0,0,0,0|2,0,0]=4 6569 B13R1.2679 Cc1cc(cnc1SC(C)CO)O 62a_100012180447_100012000486 [0,2,0,0,0,0|2,0,0]=4 6570 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)Br 62a_100012353652_100016084084 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)Br 62a_100016084084_100012353652 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)F 62a_100009817009_100016084084 [0,2,0,0,0,0|2,0,0]=4 6573 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)F 62a_100016084084_100009817009 [0,2,0,0,0,0|2,0,0]=4 6574 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)N 62a_100000761747_100016084084 [0,2,0,0,0,0|2,0,0]=4 6575 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)N 62a_100016084084_100000761747 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)O 62a_100012000486_100016084084 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.2679 Cc1cc(cnc1S[C@H](C)CO)O 62a_100016084084_100012000486 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.2679 Cc1ccc(c(n1)C)OC(C)CO 34a_100011218912_100012180447 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.2679 Cc1ccc(c(n1)C)OC(C)CO 7a_100011218912_100012180447 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.2679 Cc1ccc(c(n1)C)SC(C)CO 62a_100012180447_100009813853 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.2679 Cc1ccc(c(n1)C)S[C@H](C)CO 62a_100009813853_100016084084 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.2679 Cc1ccc(c(n1)C)S[C@H](C)CO 62a_100016084084_100009813853 [0,2,0,0,0,0|2,0,0]=4 6583 B13R1.2679 Cc1cnc(c(c1)C)SC(C)CO 62a_100012180447_100009864548 [0,2,0,0,0,0|2,0,0]=4 6584 B13R1.2679 Cc1cnc(c(c1)C)S[C@H](C)CO 62a_100009864548_100016084084 [0,2,0,0,0,0|2,0,0]=4 6585 B13R1.2679 Cc1cnc(c(c1)C)S[C@H](C)CO 62a_100016084084_100009864548 [0,2,0,0,0,0|2,0,0]=4 6586 B13R1.2679 Cc1cnc(c(n1)C)SC(C)C#N 62a_100000065684_100000703298 [0,2,0,0,0,0|1,0,1]=4 6587 B13R1.2679 Cc1cnc(c(n1)C)SC(C)C#N 62a_100000703298_100000065684 [0,2,0,0,0,0|1,0,1]=4 6588 B13R1.2679 Cc1cnc(c(n1)C)SC(C)CO 62a_100012180447_100000065684 [0,2,0,0,0,0|1,0,0]=3 6589 B13R1.2679 Cc1cnc(c(n1)C)S[C@H](C)CO 62a_100000065684_100016084084 [0,2,0,0,0,0|1,0,0]=3 6590 B13R1.2679 Cc1cnc(c(n1)C)S[C@H](C)CO 62a_100016084084_100000065684 [0,2,0,0,0,0|1,0,0]=3 6591 B13R1.2679 Cc1nc(ccc1OC(C)CO)Br 34a_100012002022_100012180447 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.2679 Cc1nc(ccc1OC(C)CO)Br 7a_100012002022_100012180447 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 34a_100012184626_100012180447 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 7a_100012184626_100012180447 [0,2,0,0,0,0|2,0,0]=4 6595 B13R1.2679 Cc1nc(ccc1OC(C)CO)F 34a_100009881036_100012180447 [0,2,0,0,0,0|2,0,0]=4 6596 B13R1.2679 Cc1nc(ccc1OC(C)CO)F 7a_100009881036_100012180447 [0,2,0,0,0,0|2,0,0]=4 6597 B13R1.2679 Cc1nc(ccc1OC(C)CO)I 34a_100010233687_100012180447 [0,2,0,0,0,0|2,0,0]=4 6598 B13R1.2679 Cc1nc(ccc1OC(C)CO)I 7a_100010233687_100012180447 [0,2,0,0,0,0|2,0,0]=4 6599 B13R1.2679 Cc1nc(ccc1SC(C)CO)Cl 62a_100012180447_100000062408 [0,2,0,0,0,0|2,0,0]=4 6600 B13R1.2679 Cc1nc(ccc1SC(C)CO)F 62a_100012180447_100000688911 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.2679 Cc1nc(ccc1SC(C)CO)N 62a_100012180447_100000187202 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.2679 Cc1nc(ccc1SC(C)CO)O 62a_100012180447_100000691680 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)Cl 62a_100000062408_100016084084 [0,2,0,0,0,0|2,0,0]=4 6604 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100000062408 [0,2,0,0,0,0|2,0,0]=4 6605 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)F 62a_100000688911_100016084084 [0,2,0,0,0,0|2,0,0]=4 6606 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)F 62a_100016084084_100000688911 [0,2,0,0,0,0|2,0,0]=4 6607 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)N 62a_100000187202_100016084084 [0,2,0,0,0,0|2,0,0]=4 6608 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)N 62a_100016084084_100000187202 [0,2,0,0,0,0|2,0,0]=4 6609 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)O 62a_100000691680_100016084084 [0,2,0,0,0,0|2,0,0]=4 6610 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)O 62a_100016084084_100000691680 [0,2,0,0,0,0|2,0,0]=4 6611 B13R1.2679 Cc1nc(cnc1SC(C)C#N)N 62a_100000703298_100009818570 [0,2,0,0,0,0|1,0,1]=4 6612 B13R1.2679 Cc1nc(cnc1SC(C)C#N)N 62a_100009818570_100000703298 [0,2,0,0,0,0|1,0,1]=4 6613 B13R1.2679 Cc1nc(cnc1SC(C)CO)N 62a_100012180447_100009818570 [0,2,0,0,0,0|1,0,0]=3 6614 B13R1.2679 Cc1nc(cnc1S[C@H](C)CO)N 62a_100009818570_100016084084 [0,2,0,0,0,0|1,0,0]=3 6615 B13R1.2679 Cc1nc(cnc1S[C@H](C)CO)N 62a_100016084084_100009818570 [0,2,0,0,0,0|1,0,0]=3 6616 B13R1.2808 Cc1cc(c(c(n1)C)SC(C)C)N 62a_100000210206_100010261885 [0,2,0,0,0,0|2,0,0]=4 6617 B13R1.2808 Cc1cc(c(c(n1)C)SC(C)C)N 62a_100010261885_100000210206 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.2808 Cc1cc(nc(c1SC(C)C)C)N 62a_100000210206_100000699364 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.2808 Cc1cc(nc(c1SC(C)C)C)N 62a_100000699364_100000210206 [0,2,0,0,0,0|2,0,0]=4 6620 B13R1.2808 Cc1nc(cc(c1OC(C)C)Br)Br 34a_200010233669_100000210206 [0,2,0,0,0,0|2,0,0]=4 6621 B13R1.2808 Cc1nc(cc(c1OC(C)C)Br)Br 7a_200010233669_100000210206 [0,2,0,0,0,0|2,0,0]=4 6622 B13R1.335 C=C[C@@H](CO)Nc1nccnc1C 27a_100016989147_100011999405 [0,2,0,0,0,0|1,0,1]=4 6623 B13R1.335 CCC(CC)Nc1nccnc1C 27a_100000199018_100011999405 [0,2,0,0,0,0|1,0,0]=3 6624 B13R1.335 CCC(CC)Nc1nccnc1F 27a_100000199018_200010125657 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.335 CCC(CC)Oc1cccnc1C 7a_100000745507_100000210505 [0,2,0,0,0,0|2,0,0]=4 6626 B13R1.335 CCC(CC)Sc1cccnc1C 62a_100000210505_100000751574 [0,2,0,0,0,0|2,0,0]=4 6627 B13R1.335 CCC(CC)Sc1cccnc1C 62a_100000751574_100000210505 [0,2,0,0,0,0|2,0,0]=4 6628 B13R1.335 CCC(CC)Sc1ncccc1C 62a_100000210505_100000751373 [0,2,0,0,0,0|2,0,0]=4 6629 B13R1.335 CCC(CC)Sc1ncccc1C 62a_100000751373_100000210505 [0,2,0,0,0,0|2,0,0]=4 6630 B13R1.335 CCC(CC)Sc1nccnc1C 62a_100000210505_100011999405 [0,2,0,0,0,0|1,0,0]=3 6631 B13R1.335 CCC(CC)Sc1nccnc1C 62a_100011999405_100000210505 [0,2,0,0,0,0|1,0,0]=3 6632 B13R1.335 CCC(CC)Sc1nccnc1Cl 62a_100000210505_100010886584 [0,2,0,0,0,0|2,0,0]=4 6633 B13R1.335 CCC(CC)Sc1nccnc1Cl 62a_100010886584_100000210505 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.335 CCC(CC)Sc1nccnc1F 62a_100000210505_200010125657 [0,2,0,0,0,0|2,0,0]=4 6635 B13R1.335 CCC(CC)Sc1nccnc1F 62a_200010125657_100000210505 [0,2,0,0,0,0|2,0,0]=4 6636 B13R1.335 CCC(CC)Sc1nccnc1N 62a_100000210505_100000747729 [0,2,0,0,0,0|2,0,0]=4 6637 B13R1.335 CCC(CC)Sc1nccnc1N 62a_100000747729_100000210505 [0,2,0,0,0,0|2,0,0]=4 6638 B13R1.335 CCN(CC)Cc1cccnc1C 2230a_100000724800_100000732876 [0,2,0,0,0,0|2,0,0]=4 6639 B13R1.335 CCN(CC)Cc1cccnc1C 269956a_100000042499_100000732876 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.335 CCN(CC)Cc1cccnc1C 269982a_100000724800_100000732876 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.335 CCN(CC)Cc1cccnc1C 270004a_100000724800_100000751968 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.335 CCN(CC)Cc1ncccc1C 2230a_100000724800_100000696600 [0,2,0,0,0,0|2,0,0]=4 6643 B13R1.335 CCN(CC)Cc1ncccc1C 269956a_100000042499_100000696600 [0,2,0,0,0,0|2,0,0]=4 6644 B13R1.335 CCN(CC)Cc1ncccc1C 269982a_100000724800_100000696600 [0,2,0,0,0,0|2,0,0]=4 6645 B13R1.335 CCN(CC)Cc1ncccc1C 270004a_100000724800_100000698913 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.335 CCN(CC)Cc1nccnc1C 270004a_100000724800_100000050726 [0,2,0,0,0,0|1,0,0]=3 6647 B13R1.335 CC[C@@H](CO)Nc1nccnc1C 27a_100000709445_100011999405 [0,2,0,0,0,0|1,0,0]=3 6648 B13R1.335 CC[C@@H](CO)Nc1nccnc1F 27a_100000709445_200010125657 [0,2,0,0,0,0|2,0,0]=4 6649 B13R1.335 Cc1nccnc1NC(CO)CO 27a_100000759517_100011999405 [0,2,0,0,0,0|1,0,0]=3 6650 B13R1.335 OCC(CO)Nc1nccnc1F 27a_100000759517_200010125657 [0,2,0,0,0,0|2,0,0]=4 6651 B13R1.470 C#CCN(C)Cc1cccnc1C 2230a_100000225692_100000732876 [0,2,0,0,0,0|2,0,0]=4 6652 B13R1.470 C#CCN(C)Cc1cccnc1C 2230a_200011875998_100000038162 [0,2,0,0,0,0|2,0,0]=4 6653 B13R1.470 C#CCN(C)Cc1cccnc1C 270004a_100000225692_100000751968 [0,2,0,0,0,0|2,0,0]=4 6654 B13R1.470 C#CCN(C)Cc1cccnc1C 34a_100000225692_100000732876 [0,2,0,0,0,0|2,0,0]=4 6655 B13R1.470 C#CCN(C)Cc1ncccc1C 2230a_100000225692_100000696600 [0,2,0,0,0,0|2,0,0]=4 6656 B13R1.470 C#CCN(C)Cc1ncccc1C 270004a_100000225692_100000698913 [0,2,0,0,0,0|2,0,0]=4 6657 B13R1.470 C#CCN(C)Cc1ncccc1C 34a_100000225692_100000696600 [0,2,0,0,0,0|2,0,0]=4 6658 B13R1.470 C#CCN(C)Cc1nccnc1C 270004a_100000225692_100000050726 [0,2,0,0,0,0|1,0,0]=3 6659 B13R1.470 C=CCN(C)Cc1cccnc1C 2230a_100000225617_100000732876 [0,2,0,0,0,0|2,0,0]=4 6660 B13R1.470 C=CCN(C)Cc1cccnc1C 2230a_200011875998_100000210623 [0,2,0,0,0,0|2,0,0]=4 6661 B13R1.470 C=CCN(C)Cc1cccnc1C 269982a_100000225617_100000732876 [0,2,0,0,0,0|2,0,0]=4 6662 B13R1.470 C=CCN(C)Cc1cccnc1C 269982a_200011875998_100000210623 [0,2,0,0,0,0|2,0,0]=4 6663 B13R1.470 C=CCN(C)Cc1cccnc1C 270004a_100000225617_100000751968 [0,2,0,0,0,0|2,0,0]=4 6664 B13R1.470 C=CCN(C)Cc1ncccc1C 2230a_100000225617_100000696600 [0,2,0,0,0,0|2,0,0]=4 6665 B13R1.470 C=CCN(C)Cc1ncccc1C 269982a_100000225617_100000696600 [0,2,0,0,0,0|2,0,0]=4 6666 B13R1.470 C=CCN(C)Cc1ncccc1C 270004a_100000225617_100000698913 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.470 C=CCN(C)Cc1nccnc1C 270004a_100000225617_100000050726 [0,2,0,0,0,0|1,0,0]=3 6668 B13R1.470 CC(CC#N)Sc1nccnc1Cl 62a_100009813641_100010886584 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.470 CC(CC#N)Sc1nccnc1Cl 62a_100010886584_100009813641 [0,2,0,0,0,0|2,0,0]=4 6670 B13R1.470 CC(CC#N)Sc1nccnc1F 62a_100009813641_200010125657 [0,2,0,0,0,0|2,0,0]=4 6671 B13R1.470 CC(CC#N)Sc1nccnc1F 62a_200010125657_100009813641 [0,2,0,0,0,0|2,0,0]=4 6672 B13R1.470 CC(CC#N)Sc1nccnc1N 62a_100000747729_100009813641 [0,2,0,0,0,0|2,0,0]=4 6673 B13R1.470 CC(CC#N)Sc1nccnc1N 62a_100009813641_100000747729 [0,2,0,0,0,0|2,0,0]=4 6674 B13R1.470 CC(CCO)Sc1nccnc1Cl 62a_100009893172_100010886584 [0,2,0,0,0,0|2,0,0]=4 6675 B13R1.470 CC(CCO)Sc1nccnc1Cl 62a_100010886584_100009893172 [0,2,0,0,0,0|2,0,0]=4 6676 B13R1.470 CC(CCO)Sc1nccnc1F 62a_100009893172_200010125657 [0,2,0,0,0,0|2,0,0]=4 6677 B13R1.470 CC(CCO)Sc1nccnc1F 62a_200010125657_100009893172 [0,2,0,0,0,0|2,0,0]=4 6678 B13R1.470 CC(CCO)Sc1nccnc1N 62a_100000747729_100009893172 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.470 CC(CCO)Sc1nccnc1N 62a_100009893172_100000747729 [0,2,0,0,0,0|2,0,0]=4 6680 B13R1.470 CCCC(C)Nc1nccnc1C 27a_100000741246_100011999405 [0,2,0,0,0,0|1,0,0]=3 6681 B13R1.470 CCCC(C)Nc1nccnc1F 27a_100000741246_200010125657 [0,2,0,0,0,0|2,0,0]=4 6682 B13R1.470 CCCC(C)Oc1cccnc1C 34a_100000745507_100000766640 [0,2,0,0,0,0|2,0,0]=4 6683 B13R1.470 CCCC(C)Oc1cccnc1C 7a_100000745507_100000766640 [0,2,0,0,0,0|2,0,0]=4 6684 B13R1.470 CCCC(C)Oc1nccnc1C 34a_100000766352_100000766640 [0,2,0,0,0,0|1,0,0]=3 6685 B13R1.470 CCCC(C)Sc1cccnc1C 62a_100000751574_100000766640 [0,2,0,0,0,0|2,0,0]=4 6686 B13R1.470 CCCC(C)Sc1cccnc1C 62a_100000766640_100000751574 [0,2,0,0,0,0|2,0,0]=4 6687 B13R1.470 CCCC(C)Sc1ncccc1C 62a_100000751373_100000766640 [0,2,0,0,0,0|2,0,0]=4 6688 B13R1.470 CCCC(C)Sc1ncccc1C 62a_100000766640_100000751373 [0,2,0,0,0,0|2,0,0]=4 6689 B13R1.470 CCCC(C)Sc1nccnc1C 62a_100000766640_100011999405 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.470 CCCC(C)Sc1nccnc1C 62a_100011999405_100000766640 [0,2,0,0,0,0|1,0,0]=3 6691 B13R1.470 CCCC(C)Sc1nccnc1Cl 62a_100000766640_100010886584 [0,2,0,0,0,0|2,0,0]=4 6692 B13R1.470 CCCC(C)Sc1nccnc1Cl 62a_100010886584_100000766640 [0,2,0,0,0,0|2,0,0]=4 6693 B13R1.470 CCCC(C)Sc1nccnc1F 62a_100000766640_200010125657 [0,2,0,0,0,0|2,0,0]=4 6694 B13R1.470 CCCC(C)Sc1nccnc1F 62a_200010125657_100000766640 [0,2,0,0,0,0|2,0,0]=4 6695 B13R1.470 CCCC(C)Sc1nccnc1N 62a_100000747729_100000766640 [0,2,0,0,0,0|2,0,0]=4 6696 B13R1.470 CCCC(C)Sc1nccnc1N 62a_100000766640_100000747729 [0,2,0,0,0,0|2,0,0]=4 6697 B13R1.470 CCCN(C)Cc1cccnc1C 2230a_100000747261_100000732876 [0,2,0,0,0,0|2,0,0]=4 6698 B13R1.470 CCCN(C)Cc1cccnc1C 2230a_200011875998_100000210303 [0,2,0,0,0,0|2,0,0]=4 6699 B13R1.470 CCCN(C)Cc1cccnc1C 269982a_100000747261_100000732876 [0,2,0,0,0,0|2,0,0]=4 6700 B13R1.470 CCCN(C)Cc1cccnc1C 269982a_200011875998_100000210303 [0,2,0,0,0,0|2,0,0]=4 6701 B13R1.470 CCCN(C)Cc1cccnc1C 270004a_100000747261_100000751968 [0,2,0,0,0,0|2,0,0]=4 6702 B13R1.470 CCCN(C)Cc1ncccc1C 2230a_100000747261_100000696600 [0,2,0,0,0,0|2,0,0]=4 6703 B13R1.470 CCCN(C)Cc1ncccc1C 269982a_100000747261_100000696600 [0,2,0,0,0,0|2,0,0]=4 6704 B13R1.470 CCCN(C)Cc1ncccc1C 270004a_100000747261_100000698913 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.470 CCCN(C)Cc1nccnc1C 270004a_100000747261_100000050726 [0,2,0,0,0,0|1,0,0]=3 6706 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,2,0,0,0,0|2,0,0]=4 6707 B13R1.470 CCNC(C)Cc1ncccc1C 270004a_100015525214_100011823981 [0,2,0,0,0,0|1,0,0]=3 6708 B13R1.470 COCC(C)Oc1cccnc1C 34a_100000745507_100000765312 [0,2,0,0,0,0|2,0,0]=4 6709 B13R1.470 COCC(C)Oc1cccnc1C 7a_100000745507_100000765312 [0,2,0,0,0,0|2,0,0]=4 6710 B13R1.470 COCC(C)Oc1nccnc1C 34a_100000766352_100000765312 [0,2,0,0,0,0|1,0,0]=3 6711 B13R1.470 COCC(C)Sc1cccnc1C 62a_100000751574_100000765312 [0,2,0,0,0,0|2,0,0]=4 6712 B13R1.470 COCC(C)Sc1cccnc1C 62a_100000765312_100000751574 [0,2,0,0,0,0|2,0,0]=4 6713 B13R1.470 COCC(C)Sc1ncccc1C 62a_100000751373_100000765312 [0,2,0,0,0,0|2,0,0]=4 6714 B13R1.470 COCC(C)Sc1ncccc1C 62a_100000765312_100000751373 [0,2,0,0,0,0|2,0,0]=4 6715 B13R1.470 COCC(C)Sc1nccnc1C 62a_100000765312_100011999405 [0,2,0,0,0,0|1,0,0]=3 6716 B13R1.470 COCC(C)Sc1nccnc1C 62a_100011999405_100000765312 [0,2,0,0,0,0|1,0,0]=3 6717 B13R1.470 COCC(C)Sc1nccnc1Cl 62a_100000765312_100010886584 [0,2,0,0,0,0|2,0,0]=4 6718 B13R1.470 COCC(C)Sc1nccnc1Cl 62a_100010886584_100000765312 [0,2,0,0,0,0|2,0,0]=4 6719 B13R1.470 COCC(C)Sc1nccnc1F 62a_100000765312_200010125657 [0,2,0,0,0,0|2,0,0]=4 6720 B13R1.470 COCC(C)Sc1nccnc1F 62a_200010125657_100000765312 [0,2,0,0,0,0|2,0,0]=4 6721 B13R1.470 COCC(C)Sc1nccnc1N 62a_100000747729_100000765312 [0,2,0,0,0,0|2,0,0]=4 6722 B13R1.470 COCC(C)Sc1nccnc1N 62a_100000765312_100000747729 [0,2,0,0,0,0|2,0,0]=4 6723 B13R1.470 COCN(C)Cc1cccnc1C 2230a_200011875998_100000766300 [0,2,0,0,0,0|2,0,0]=4 6724 B13R1.470 COCN(C)Cc1cccnc1C 269982a_200011875998_100000766300 [0,2,0,0,0,0|2,0,0]=4 6725 B13R1.470 COC[C@@H](C)Nc1nccnc1C 27a_100000764878_100011999405 [0,2,0,0,0,0|1,0,0]=3 6726 B13R1.470 COC[C@@H](C)Nc1nccnc1F 27a_100000764878_200010125657 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.470 CSCN(C)Cc1cccnc1C 2230a_200011875998_100011218213 [0,2,0,0,0,0|2,0,0]=4 6728 B13R1.470 CSCN(C)Cc1cccnc1C 269982a_200011875998_100011218213 [0,2,0,0,0,0|2,0,0]=4 6729 B13R1.470 C[C@@H](CC#N)Nc1nccnc1F 27a_100016994482_200010125657 [0,2,0,0,0,0|2,0,0]=4 6730 B13R1.470 C[C@H](CCO)Nc1nccnc1F 27a_100000706166_200010125657 [0,2,0,0,0,0|2,0,0]=4 6731 B13R1.470 Cc1cccnc1CN(C)CC#N 2230a_100000748184_100000696600 [0,2,0,0,0,0|2,0,0]=4 6732 B13R1.470 Cc1cccnc1CN(C)CCO 2230a_100000210263_100000696600 [0,2,0,0,0,0|2,0,0]=4 6733 B13R1.470 Cc1cccnc1CN(C)CCO 269982a_100000210263_100000696600 [0,2,0,0,0,0|2,0,0]=4 6734 B13R1.470 Cc1cccnc1CN(C)CCO 270004a_100000210263_100000698913 [0,2,0,0,0,0|2,0,0]=4 6735 B13R1.470 Cc1cccnc1SC(C)CC#N 62a_100000751373_100009813641 [0,2,0,0,0,0|2,0,0]=4 6736 B13R1.470 Cc1cccnc1SC(C)CC#N 62a_100009813641_100000751373 [0,2,0,0,0,0|2,0,0]=4 6737 B13R1.470 Cc1cccnc1SC(C)CCO 62a_100000751373_100009893172 [0,2,0,0,0,0|2,0,0]=4 6738 B13R1.470 Cc1cccnc1SC(C)CCO 62a_100009893172_100000751373 [0,2,0,0,0,0|2,0,0]=4 6739 B13R1.470 Cc1ncccc1CN(C)CC#N 2230a_100000748184_100000732876 [0,2,0,0,0,0|2,0,0]=4 6740 B13R1.470 Cc1ncccc1CN(C)CC#N 2230a_200011875998_100011215382 [0,2,0,0,0,0|2,0,0]=4 6741 B13R1.470 Cc1ncccc1CN(C)CC#N 269982a_200011875998_100011214920 [0,2,0,0,0,0|2,0,0]=4 6742 B13R1.470 Cc1ncccc1CN(C)CC=O 2230a_200011875998_200015260668 [0,2,0,0,0,0|2,0,0]=4 6743 B13R1.470 Cc1ncccc1CN(C)CC=O 269982a_200011875998_200015260668 [0,2,0,0,0,0|2,0,0]=4 6744 B13R1.470 Cc1ncccc1CN(C)CCF 2230a_200011875998_100011217306 [0,2,0,0,0,0|2,0,0]=4 6745 B13R1.470 Cc1ncccc1CN(C)CCF 269982a_200011875998_100011217306 [0,2,0,0,0,0|2,0,0]=4 6746 B13R1.470 Cc1ncccc1CN(C)CCO 2230a_100000210263_100000732876 [0,2,0,0,0,0|2,0,0]=4 6747 B13R1.470 Cc1ncccc1CN(C)CCO 2230a_200011875998_100000211926 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.470 Cc1ncccc1CN(C)CCO 269982a_100000210263_100000732876 [0,2,0,0,0,0|2,0,0]=4 6749 B13R1.470 Cc1ncccc1CN(C)CCO 269982a_200011875998_100000211926 [0,2,0,0,0,0|2,0,0]=4 6750 B13R1.470 Cc1ncccc1CN(C)CCO 270004a_100000210263_100000751968 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.470 Cc1ncccc1OC(C)CC#N 7a_100000745507_100009813641 [0,2,0,0,0,0|2,0,0]=4 6752 B13R1.470 Cc1ncccc1OC(C)CCO 34a_100000745507_100009893172 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.470 Cc1ncccc1OC(C)CCO 7a_100000745507_100009893172 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.470 Cc1ncccc1SC(C)CC#N 62a_100000751574_100009813641 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.470 Cc1ncccc1SC(C)CC#N 62a_100009813641_100000751574 [0,2,0,0,0,0|2,0,0]=4 6756 B13R1.470 Cc1ncccc1SC(C)CCO 62a_100000751574_100009893172 [0,2,0,0,0,0|2,0,0]=4 6757 B13R1.470 Cc1ncccc1SC(C)CCO 62a_100009893172_100000751574 [0,2,0,0,0,0|2,0,0]=4 6758 B13R1.470 Cc1nccnc1CN(C)CCO 270004a_100000210263_100000050726 [0,2,0,0,0,0|1,0,0]=3 6759 B13R1.470 Cc1nccnc1N[C@@H](C)CC#N 27a_100016994482_100011999405 [0,2,0,0,0,0|1,0,0]=3 6760 B13R1.470 Cc1nccnc1N[C@H](C)CCO 27a_100000706166_100011999405 [0,2,0,0,0,0|1,0,0]=3 6761 B13R1.470 Cc1nccnc1OC(C)CCO 34a_100000766352_100009893172 [0,2,0,0,0,0|1,0,0]=3 6762 B13R1.470 Cc1nccnc1SC(C)CC#N 62a_100009813641_100011999405 [0,2,0,0,0,0|1,0,0]=3 6763 B13R1.470 Cc1nccnc1SC(C)CC#N 62a_100011999405_100009813641 [0,2,0,0,0,0|1,0,0]=3 6764 B13R1.470 Cc1nccnc1SC(C)CCO 62a_100009893172_100011999405 [0,2,0,0,0,0|1,0,0]=3 6765 B13R1.470 Cc1nccnc1SC(C)CCO 62a_100011999405_100009893172 [0,2,0,0,0,0|1,0,0]=3 6766 B13R1.4928 CCC(C)Oc1c(ccnc1C)C 34a_100011934651_100011215416 [0,2,0,0,0,0|2,0,0]=4 6767 B13R1.4928 CCC(C)Oc1c(ccnc1C)C 7a_100011934651_100000758301 [0,2,0,0,0,0|2,0,0]=4 6768 B13R1.4928 CCC(C)Sc1c(ccnc1C)C 62a_100000758301_100012000501 [0,2,0,0,0,0|2,0,0]=4 6769 B13R1.4928 CCC(C)Sc1c(ccnc1C)C 62a_100012000501_100000758301 [0,2,0,0,0,0|2,0,0]=4 6770 B13R1.4928 CCC(C)Sc1c(ccnc1C)N 62a_100000758301_100010243816 [0,2,0,0,0,0|2,0,0]=4 6771 B13R1.4928 CCC(C)Sc1c(ccnc1C)N 62a_100010243816_100000758301 [0,2,0,0,0,0|2,0,0]=4 6772 B13R1.4928 COC(C)Sc1c(ccnc1C)C 62a_100009879195_100012000501 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.4928 COC(C)Sc1c(ccnc1C)C 62a_100012000501_100009879195 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.4928 COC(C)Sc1c(ccnc1C)N 62a_100009879195_100010243816 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.4928 COC(C)Sc1c(ccnc1C)N 62a_100010243816_100009879195 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.4928 Cc1ccnc(c1OC(C)CO)C 34a_100011934651_100012180447 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.4928 Cc1ccnc(c1OC(C)CO)C 7a_100011934651_100012180447 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.4928 Cc1ccnc(c1SC(C)CO)C 62a_100012180447_100012000501 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.4928 Cc1ccnc(c1S[C@H](C)CO)C 62a_100012000501_100016084084 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.4928 Cc1ccnc(c1S[C@H](C)CO)C 62a_100016084084_100012000501 [0,2,0,0,0,0|2,0,0]=4 6781 B13R1.4928 Cc1nccc(c1SC(C)CO)N 62a_100012180447_100010243816 [0,2,0,0,0,0|2,0,0]=4 6782 B13R1.4928 Cc1nccc(c1S[C@H](C)CO)N 62a_100010243816_100016084084 [0,2,0,0,0,0|2,0,0]=4 6783 B13R1.4928 Cc1nccc(c1S[C@H](C)CO)N 62a_100016084084_100010243816 [0,2,0,0,0,0|2,0,0]=4 6784 B11R1.172 CC(C)CC=Cc1cnco1 271570a_100016259101_100020591547 [0,0,1,1,0,0|2,0,0]=4 6785 B11R1.172 CC(C)CC=Cc1cncs1 271570a_100016259101_100011934649 [0,0,1,1,0,0|2,0,0]=4 6786 B11R1.193 CC=Cc1cncn1C(C)C 271570a_100016259895_100009849687 [0,0,1,1,0,0|2,0,0]=4 6787 B11R1.178 C=C(C)c1nccn1C(C)C 271570a_100000694244_100009820211 [0,0,1,1,0,0|2,0,0]=4 6788 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [1,0,0,1,0,0|2,0,0]=4 6789 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [1,0,0,1,0,0|2,0,0]=4 6790 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [1,0,0,1,0,0|2,0,0]=4 6791 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [1,0,0,1,0,0|2,0,0]=4 6792 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [1,0,0,1,0,0|2,0,0]=4 6793 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [1,0,0,1,0,0|1,0,0]=3 6794 B11R2.55 Cc1ccnnc1C2CC2 271570a_100011220607_100000089043 [1,0,0,1,0,0|2,0,0]=4 6795 B11R2.55 Cc1cncnc1C2CC2 271570a_100011220607_100011998708 [1,0,0,1,0,0|2,0,0]=4 6796 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [1,0,0,1,0,0|1,0,0]=3 6797 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [1,0,0,1,0,0|0,0,0]=2 6798 B11R2.55 Cc1ncncc1C2CC2 271570a_100011220607_100009819671 [1,0,0,1,0,0|2,0,0]=4 6799 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [1,0,0,1,0,0|2,0,0]=4 6800 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [1,0,0,1,0,0|2,0,0]=4 6801 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [1,0,0,1,0,0|2,0,0]=4 6802 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [1,0,0,1,0,0|2,0,0]=4 6803 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [1,0,0,1,0,0|1,0,0]=3 6804 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [1,0,0,1,0,0|2,0,0]=4 6805 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [1,0,0,1,0,0|2,0,0]=4 6806 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [1,0,0,1,0,0|1,0,0]=3 6807 B11R2.55 O=c1[nH]ccnc1C2CC2 271570a_100011220607_100000763361 [1,0,0,1,0,0|1,0,1]=4 6808 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [1,0,0,1,0,0|2,0,0]=4 6809 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [1,0,0,1,0,0|2,0,0]=4 6810 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [1,0,0,1,0,0|2,0,0]=4 6811 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [1,0,0,1,0,0|1,0,0]=3 6812 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [1,0,0,1,0,0|1,0,0]=3 6813 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [1,0,0,1,0,0|2,0,0]=4 6814 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [1,0,0,1,0,0|2,0,0]=4 6815 B11R2.36 CN1CCc2ccsc2C1 2230a_100000694341_200000210301 [0,0,0,1,1,0|2,0,0]=4 6816 B11R2.36 CN1CCc2ccsc2C1 269982a_100000694341_200000210301 [0,0,0,1,1,0|2,0,0]=4 6817 B11R2.36 CN1CCc2ccsc2C1 34a_100000694341_200000210301 [0,0,0,1,1,0|2,0,0]=4 6818 B11R2.36 CN1CCc2nc[nH]c2C1 2230a_100000723896_200000210301 [0,0,0,1,1,0|1,0,1]=4 6819 B11R2.36 CN1CCc2sccc2C1 2230a_100015185043_200000210301 [0,0,0,1,1,0|2,0,0]=4 6820 B11R2.36 CN1CCc2sccc2C1 269982a_100015185043_200000210301 [0,0,0,1,1,0|2,0,0]=4 6821 B11R2.36 CN1CCc2sccc2C1 34a_100015185043_200000210301 [0,0,0,1,1,0|2,0,0]=4 6822 B11R2.36 CN1CCn2ccnc2C1 2230a_100000749140_200000210301 [0,0,0,1,1,0|2,0,0]=4 6823 B11R2.36 CN1CCn2ccnc2C1 269982a_100000749140_200000210301 [0,0,0,1,1,0|2,0,0]=4 6824 B11R2.36 CN1CCn2nccc2C1 2230a_100016988820_200000210301 [0,0,0,1,1,0|2,0,0]=4 6825 B11R2.36 CN1CCn2nccc2C1 269982a_100016988820_200000210301 [0,0,0,1,1,0|2,0,0]=4 6826 B11R2.36 CN1CCn2ncnc2C1 2230a_100000094338_200000210301 [0,0,0,1,1,0|2,0,0]=4 6827 B11R2.36 CN1CCn2ncnc2C1 269982a_100000094338_200000210301 [0,0,0,1,1,0|2,0,0]=4 6828 B11R2.36 [13CH3]N1CCc2ccsc2C1 2230a_100000694341_200025704644 [0,0,0,1,1,0|2,0,0]=4 6829 B11R2.36 [13CH3]N1CCc2ccsc2C1 269982a_100000694341_200025704644 [0,0,0,1,1,0|2,0,0]=4 6830 B11R2.36 [13CH3]N1CCc2ccsc2C1 34a_100000694341_200025704644 [0,0,0,1,1,0|2,0,0]=4 6831 B11R2.36 [13CH3]N1CCc2nc[nH]c2C1 2230a_100000723896_200025704644 [0,0,0,1,1,0|1,0,1]=4 6832 B11R2.36 [13CH3]N1CCc2sccc2C1 2230a_100015185043_200025704644 [0,0,0,1,1,0|2,0,0]=4 6833 B11R2.36 [13CH3]N1CCc2sccc2C1 269982a_100015185043_200025704644 [0,0,0,1,1,0|2,0,0]=4 6834 B11R2.36 [13CH3]N1CCc2sccc2C1 34a_100015185043_200025704644 [0,0,0,1,1,0|2,0,0]=4 6835 B11R2.36 [13CH3]N1CCn2ccnc2C1 2230a_100000749140_200025704644 [0,0,0,1,1,0|2,0,0]=4 6836 B11R2.36 [13CH3]N1CCn2ccnc2C1 269982a_100000749140_200025704644 [0,0,0,1,1,0|2,0,0]=4 6837 B11R2.36 [13CH3]N1CCn2nccc2C1 2230a_100016988820_200025704644 [0,0,0,1,1,0|2,0,0]=4 6838 B11R2.36 [13CH3]N1CCn2nccc2C1 269982a_100016988820_200025704644 [0,0,0,1,1,0|2,0,0]=4 6839 B11R2.36 [13CH3]N1CCn2ncnc2C1 2230a_100000094338_200025704644 [0,0,0,1,1,0|2,0,0]=4 6840 B11R2.36 [13CH3]N1CCn2ncnc2C1 269982a_100000094338_200025704644 [0,0,0,1,1,0|2,0,0]=4 6841 B11R2.66 CN1Cc2cnn(c2C1)C 269982a_100015203758_200000210301 [0,0,0,1,1,0|2,0,0]=4 6842 B11R2.66 CN1Cc2cnn(c2C1)C 34a_100015203758_200000210301 [0,0,0,1,1,0|2,0,0]=4 6843 B11R2.66 Cn1ncc2c1CN(C2)[13CH3] 269982a_100015203758_200025704644 [0,0,0,1,1,0|2,0,0]=4 6844 B11R2.66 Cn1ncc2c1CN(C2)[13CH3] 34a_100015203758_200025704644 [0,0,0,1,1,0|2,0,0]=4 6845 B11R2.115 Cc1[nH]cnc1SC2CC2 62a_100010186451_100000211595 [0,0,0,1,1,0|1,0,1]=4 6846 B11R2.115 Cc1c[nH]nc1SC2CC2 62a_100009871783_100000211595 [0,0,0,1,1,0|2,0,0]=4 6847 B11R2.115 Cc1ccsc1SC2CC2 62a_100010247149_100000211595 [0,0,0,1,1,0|2,0,0]=4 6848 B11R2.115 Cc1n[nH]cc1SC2CC2 62a_100000692133_100000211595 [0,0,0,1,1,0|2,0,0]=4 6849 B11R2.115 Cc1ncsc1SC2CC2 62a_100009817116_100000211595 [0,0,0,1,1,0|2,0,0]=4 6850 B11R2.115 Cc1sccc1SC2CC2 62a_100000684487_100000211595 [0,0,0,1,1,0|2,0,0]=4 6851 B11R2.115 Cc1scnc1SC2CC2 62a_100000732656_100000211595 [0,0,0,1,1,0|2,0,0]=4 6852 B11R2.115 Cn1ccnc1SC2CC2 62a_100000707724_100000211595 [0,0,0,1,1,0|2,0,0]=4 6853 B11R2.115 Cn1nccc1OC2CC2 34a_100020632926_100000211595 [0,0,0,1,1,0|2,0,0]=4 6854 B11R2.115 Cn1nccc1SC2CC2 62a_100000688441_100000211595 [0,0,0,1,1,0|2,0,0]=4 6855 B11R2.115 Cn1ncnc1NC2CC2 27a_100000212008_100000732653 [0,0,0,1,1,0|2,0,0]=4 6856 B11R2.115 Cn1ncnc1SC2CC2 62a_100000732653_100000211595 [0,0,0,1,1,0|2,0,0]=4 6857 B13R2.216 CC1CN(C1)c2ncccc2Br 27a_100000702820_100000696092 [0,0,0,1,0,1|2,0,0]=4 6858 B13R2.216 CC1CN(C1)c2nccnc2F 27a_100000702820_200010125657 [0,0,0,1,0,1|1,0,0]=3 6859 B13R2.216 Cc1ccnnc1N2CC(C2)C 27a_100000702820_100000089043 [0,0,0,1,0,1|2,0,0]=4 6860 B13R2.216 Cc1cncnc1N2CC(C2)C 27a_100000702820_100011998708 [0,0,0,1,0,1|2,0,0]=4 6861 B13R2.216 Cc1nccnc1N2CC(C2)C 27a_100000702820_100011999405 [0,0,0,1,0,1|0,0,0]=2 6862 B13R2.216 Cc1nccnc1N2CC(C2)F 27a_100000690557_100011999405 [0,0,0,1,0,1|1,0,0]=3 6863 B13R2.216 Cc1nccnc1N2CC(C2)O 27a_100000749847_100011999405 [0,0,0,1,0,1|1,0,0]=3 6864 B13R2.216 Fc1nccnc1N2CC(C2)F 27a_100000690557_200010125657 [0,0,0,1,0,1|2,0,0]=4 6865 B13R2.216 OC1CN(C1)c2nccnc2F 27a_100000749847_200010125657 [0,0,0,1,0,1|2,0,0]=4 6866 B13R2.377 Cc1nccnc1N[C@@H]2C[C@@H]2F 27a_100015190264_100011999405 [0,0,0,1,0,1|1,0,0]=3 6867 B13R2.377 Cc1nccnc1N[C@@H]2C[C@H]2F 27a_100025746932_100011999405 [0,0,0,1,0,1|1,0,0]=3 6868 B13R2.377 Fc1nccnc1N[C@@H]2C[C@@H]2F 27a_100015190264_200010125657 [0,0,0,1,0,1|2,0,0]=4 6869 B13R2.377 Fc1nccnc1N[C@@H]2C[C@H]2F 27a_100025746932_200010125657 [0,0,0,1,0,1|2,0,0]=4 6870 B13R2.435 CC(C)N1Cc2ccccc2C1 2230a_100000752595_100000210206 [0,0,0,1,0,1|2,0,0]=4 6871 B13R2.435 CC(C)N1Cc2ccccc2C1 269982a_100000752595_100000210206 [0,0,0,1,0,1|2,0,0]=4 6872 B13R2.435 CC(C)N1Cc2ccccc2C1 34a_100000752595_100000210206 [0,0,0,1,0,1|2,0,0]=4 6873 B13R2.435 CC(C)N1Cc2cccnc2C1 269982a_100000726175_100000210206 [0,0,0,1,0,1|1,0,0]=3 6874 B13R2.435 CC(C)N1Cc2cncnc2C1 269982a_100015200256_100000210206 [0,0,0,1,0,1|2,0,0]=4 6875 B13R2.3587 Brc1cccnc1CNC2CC2 34a_100000212008_100025702911 [0,0,0,1,0,1|2,0,0]=4 6876 B13R2.3587 Brc1cccnc1COC2CC2 34a_100011996772_100000211595 [0,0,0,1,0,1|2,0,0]=4 6877 B13R2.3587 Brc1cccnc1CSC2CC2 62a_100025702911_100000211595 [0,0,0,1,0,1|2,0,0]=4 6878 B13R2.3587 Brc1cccnc1NCC2CC2 27a_100000735609_100000696092 [0,0,0,1,0,1|2,0,0]=4 6879 B13R2.3587 Brc1cccnc1SCC2CC2 62a_100000696092_100000742324 [0,0,0,1,0,1|2,0,0]=4 6880 B13R2.3587 Brc1cccnc1SCC2CC2 62a_100000756562_100000696092 [0,0,0,1,0,1|2,0,0]=4 6881 B13R2.3587 Brc1ncccc1CNC2CC2 34a_100000212008_100010140945 [0,0,0,1,0,1|2,0,0]=4 6882 B13R2.3587 Brc1ncccc1CNC2CC2 34a_100009818023_100000211595 [0,0,0,1,0,1|2,0,0]=4 6883 B13R2.3587 Brc1ncccc1COC2CC2 34a_100000719692_100000211595 [0,0,0,1,0,1|2,0,0]=4 6884 B13R2.3587 Brc1ncccc1CSC2CC2 62a_100010140945_100000211595 [0,0,0,1,0,1|2,0,0]=4 6885 B13R2.3587 Brc1ncccc1OCC2CC2 34a_100000744436_100000742324 [0,0,0,1,0,1|2,0,0]=4 6886 B13R2.3587 Brc1ncccc1OCC2CC2 7a_100000744436_100000742324 [0,0,0,1,0,1|2,0,0]=4 6887 B13R2.3587 Brc1ncccc1SCC2CC2 62a_100000756562_100010202626 [0,0,0,1,0,1|2,0,0]=4 6888 B13R2.3587 Brc1ncccc1SCC2CC2 62a_100010202626_100000742324 [0,0,0,1,0,1|2,0,0]=4 6889 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000174972_100000211595 [0,0,0,1,0,1|2,0,0]=4 6890 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000212008_100000211839 [0,0,0,1,0,1|2,0,0]=4 6891 B13R2.3587 Cc1ccccc1COC2CC2 34a_100000698903_100000211595 [0,0,0,1,0,1|2,0,0]=4 6892 B13R2.3587 Cc1ccccc1CSC2CC2 62a_100000211839_100000211595 [0,0,0,1,0,1|2,0,0]=4 6893 B13R2.3587 Cc1ccccc1NCC2CC2 34a_100015192222_100000742324 [0,0,0,1,0,1|2,0,0]=4 6894 B13R2.3587 Cc1ccccc1OCC2CC2 34a_100000210338_100000742324 [0,0,0,1,0,1|2,0,0]=4 6895 B13R2.3587 Cc1ccccc1OCC2CC2 7a_100000210338_100000742324 [0,0,0,1,0,1|2,0,0]=4 6896 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000210755_100000742324 [0,0,0,1,0,1|2,0,0]=4 6897 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000756562_100000210755 [0,0,0,1,0,1|2,0,0]=4 6898 B13R2.3587 Cc1cccnc1C#CC2CC2 271570a_200009880635_100000751373 [0,0,0,1,0,1|1,0,1]=4 6899 B13R2.3587 Cc1cccnc1C=CC2CC2 271570a_100102526188_100000751373 [0,0,0,1,0,1|1,0,1]=4 6900 B13R2.3587 Cc1cccnc1CNC2CC2 34a_100000212008_100000696600 [0,0,0,1,0,1|1,0,0]=3 6901 B13R2.3587 Cc1cccnc1CNC2CC2 34a_100011223789_100000211595 [0,0,0,1,0,1|1,0,0]=3 6902 B13R2.3587 Cc1cccnc1COC2CC2 34a_100000698912_100000211595 [0,0,0,1,0,1|1,0,0]=3 6903 B13R2.3587 Cc1cccnc1CSC2CC2 62a_100000696600_100000211595 [0,0,0,1,0,1|1,0,0]=3 6904 B13R2.3587 Cc1cccnc1SCC2CC2 62a_100000751373_100000742324 [0,0,0,1,0,1|1,0,0]=3 6905 B13R2.3587 Cc1cccnc1SCC2CC2 62a_100000756562_100000751373 [0,0,0,1,0,1|1,0,0]=3 6906 B13R2.3587 Cc1cccnc1SCC2CO2 62a_100000751373_102125554688 [0,0,0,1,0,1|2,0,0]=4 6907 B13R2.3587 Cc1cccnc1SCC2CO2 62a_102125554688_100000751373 [0,0,0,1,0,1|2,0,0]=4 6908 B13R2.3587 Cc1cccnc1SCC2CS2 62a_100000031435_100000751373 [0,0,0,1,0,1|2,0,0]=4 6909 B13R2.3587 Cc1cccnc1SCC2CS2 62a_100000751373_100000031435 [0,0,0,1,0,1|2,0,0]=4 6910 B13R2.3587 Cc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000751373 [0,0,0,1,0,1|2,0,0]=4 6911 B13R2.3587 Cc1cccnc1SC[C@@H]2CO2 62a_100000751373_100000745022 [0,0,0,1,0,1|2,0,0]=4 6912 B13R2.3587 Cc1ccnnc1NCC2CC2 27a_100000735609_100000089043 [0,0,0,1,0,1|2,0,0]=4 6913 B13R2.3587 Cc1ccnnc1SCC2CC2 62a_100000756562_100000089043 [0,0,0,1,0,1|2,0,0]=4 6914 B13R2.3587 Cc1cncnc1NCC2CC2 27a_100000735609_100011998708 [0,0,0,1,0,1|2,0,0]=4 6915 B13R2.3587 Cc1cncnc1SCC2CC2 62a_100000756562_100011998708 [0,0,0,1,0,1|2,0,0]=4 6916 B13R2.3587 Cc1cncnc1SCC2CC2 62a_100011998708_100000742324 [0,0,0,1,0,1|2,0,0]=4 6917 B13R2.3587 Cc1ncccc1C#CC2CC2 271570a_200009880635_100000751574 [0,0,0,1,0,1|1,0,1]=4 6918 B13R2.3587 Cc1ncccc1C=CC2CC2 271570a_100102526188_100000751574 [0,0,0,1,0,1|1,0,1]=4 6919 B13R2.3587 Cc1ncccc1CNC2CC2 34a_100000212008_100000732876 [0,0,0,1,0,1|1,0,0]=3 6920 B13R2.3587 Cc1ncccc1COC2CC2 34a_100000729262_100000211595 [0,0,0,1,0,1|1,0,0]=3 6921 B13R2.3587 Cc1ncccc1CSC2CC2 62a_100000732876_100000211595 [0,0,0,1,0,1|1,0,0]=3 6922 B13R2.3587 Cc1ncccc1OCC2CC2 34a_100000745507_100000742324 [0,0,0,1,0,1|1,0,0]=3 6923 B13R2.3587 Cc1ncccc1OCC2CC2 7a_100000745507_100000742324 [0,0,0,1,0,1|1,0,0]=3 6924 B13R2.3587 Cc1ncccc1OCC2CO2 34a_100000745507_102125554688 [0,0,0,1,0,1|2,0,0]=4 6925 B13R2.3587 Cc1ncccc1OCC2CO2 7a_100000745507_102125554688 [0,0,0,1,0,1|2,0,0]=4 6926 B13R2.3587 Cc1ncccc1OCC2CS2 7a_100000745507_100000031435 [0,0,0,1,0,1|2,0,0]=4 6927 B13R2.3587 Cc1ncccc1OC[C@@H]2CO2 7a_100000745507_100000745022 [0,0,0,1,0,1|2,0,0]=4 6928 B13R2.3587 Cc1ncccc1SCC2CC2 62a_100000751574_100000742324 [0,0,0,1,0,1|1,0,0]=3 6929 B13R2.3587 Cc1ncccc1SCC2CC2 62a_100000756562_100000751574 [0,0,0,1,0,1|1,0,0]=3 6930 B13R2.3587 Cc1ncccc1SCC2CO2 62a_100000751574_102125554688 [0,0,0,1,0,1|2,0,0]=4 6931 B13R2.3587 Cc1ncccc1SCC2CO2 62a_102125554688_100000751574 [0,0,0,1,0,1|2,0,0]=4 6932 B13R2.3587 Cc1ncccc1SCC2CS2 62a_100000031435_100000751574 [0,0,0,1,0,1|2,0,0]=4 6933 B13R2.3587 Cc1ncccc1SCC2CS2 62a_100000751574_100000031435 [0,0,0,1,0,1|2,0,0]=4 6934 B13R2.3587 Cc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000751574 [0,0,0,1,0,1|2,0,0]=4 6935 B13R2.3587 Cc1ncccc1SC[C@@H]2CO2 62a_100000751574_100000745022 [0,0,0,1,0,1|2,0,0]=4 6936 B13R2.3587 Cc1nccnc1C#CC2CC2 271570a_200009880635_100011999405 [0,0,0,1,0,1|0,0,1]=3 6937 B13R2.3587 Cc1nccnc1C=CC2CC2 271570a_100102526188_100011999405 [0,0,0,1,0,1|0,0,1]=3 6938 B13R2.3587 Cc1nccnc1CNC2CC2 34a_100020641712_100000211595 [0,0,0,1,0,1|0,0,0]=2 6939 B13R2.3587 Cc1nccnc1NCC2CC2 27a_100000735609_100011999405 [0,0,0,1,0,1|0,0,0]=2 6940 B13R2.3587 Cc1nccnc1OCC2CC2 34a_100000766352_100000742324 [0,0,0,1,0,1|0,0,0]=2 6941 B13R2.3587 Cc1nccnc1OCC2CO2 34a_100000766352_102125554688 [0,0,0,1,0,1|1,0,0]=3 6942 B13R2.3587 Cc1nccnc1SCC2CC2 62a_100000756562_100011999405 [0,0,0,1,0,1|0,0,0]=2 6943 B13R2.3587 Cc1nccnc1SCC2CC2 62a_100011999405_100000742324 [0,0,0,1,0,1|0,0,0]=2 6944 B13R2.3587 Cc1nccnc1SCC2CO2 62a_100011999405_102125554688 [0,0,0,1,0,1|1,0,0]=3 6945 B13R2.3587 Cc1nccnc1SCC2CO2 62a_102125554688_100011999405 [0,0,0,1,0,1|1,0,0]=3 6946 B13R2.3587 Cc1nccnc1SCC2CS2 62a_100000031435_100011999405 [0,0,0,1,0,1|1,0,0]=3 6947 B13R2.3587 Cc1nccnc1SCC2CS2 62a_100011999405_100000031435 [0,0,0,1,0,1|1,0,0]=3 6948 B13R2.3587 Cc1nccnc1SC[C@@H]2CO2 62a_100000745022_100011999405 [0,0,0,1,0,1|1,0,0]=3 6949 B13R2.3587 Cc1nccnc1SC[C@@H]2CO2 62a_100011999405_100000745022 [0,0,0,1,0,1|1,0,0]=3 6950 B13R2.3587 Cc1ncncc1SCC2CC2 62a_100000756562_100009819671 [0,0,0,1,0,1|2,0,0]=4 6951 B13R2.3587 Cc1ncncc1SCC2CC2 62a_100009819671_100000742324 [0,0,0,1,0,1|2,0,0]=4 6952 B13R2.3587 Clc1cccnc1COC2CC2 34a_100012002383_100000211595 [0,0,0,1,0,1|2,0,0]=4 6953 B13R2.3587 Clc1cccnc1CSC2CC2 62a_100000099807_100000211595 [0,0,0,1,0,1|2,0,0]=4 6954 B13R2.3587 Clc1cccnc1OCC2CC2 34a_100011290957_100000742324 [0,0,0,1,0,1|2,0,0]=4 6955 B13R2.3587 Clc1cccnc1SCC2CC2 62a_100000756562_100011356963 [0,0,0,1,0,1|2,0,0]=4 6956 B13R2.3587 Clc1cccnc1SCC2CC2 62a_100011356963_100000742324 [0,0,0,1,0,1|2,0,0]=4 6957 B13R2.3587 Clc1ncccc1CNC2CC2 34a_100000212008_100000045678 [0,0,0,1,0,1|2,0,0]=4 6958 B13R2.3587 Clc1ncccc1CNC2CC2 34a_100015189234_100000211595 [0,0,0,1,0,1|2,0,0]=4 6959 B13R2.3587 Clc1ncccc1COC2CC2 34a_100000748726_100000211595 [0,0,0,1,0,1|2,0,0]=4 6960 B13R2.3587 Clc1ncccc1CSC2CC2 62a_100000045678_100000211595 [0,0,0,1,0,1|2,0,0]=4 6961 B13R2.3587 Clc1ncccc1OCC2CC2 34a_100000757616_100000742324 [0,0,0,1,0,1|2,0,0]=4 6962 B13R2.3587 Clc1ncccc1OCC2CC2 7a_100000757616_100000742324 [0,0,0,1,0,1|2,0,0]=4 6963 B13R2.3587 Clc1ncccc1SCC2CC2 62a_100000036424_100000742324 [0,0,0,1,0,1|2,0,0]=4 6964 B13R2.3587 Clc1ncccc1SCC2CC2 62a_100000756562_100000036424 [0,0,0,1,0,1|2,0,0]=4 6965 B13R2.3587 Clc1nccnc1COC2CC2 34a_100000057004_100000211595 [0,0,0,1,0,1|1,0,0]=3 6966 B13R2.3587 Clc1nccnc1SCC2CC2 62a_100000756562_100010886584 [0,0,0,1,0,1|1,0,0]=3 6967 B13R2.3587 Clc1nccnc1SCC2CC2 62a_100010886584_100000742324 [0,0,0,1,0,1|1,0,0]=3 6968 B13R2.3587 Clc1nccnc1SCC2CO2 62a_100010886584_102125554688 [0,0,0,1,0,1|2,0,0]=4 6969 B13R2.3587 Clc1nccnc1SCC2CO2 62a_102125554688_100010886584 [0,0,0,1,0,1|2,0,0]=4 6970 B13R2.3587 Clc1nccnc1SCC2CS2 62a_100000031435_100010886584 [0,0,0,1,0,1|2,0,0]=4 6971 B13R2.3587 Clc1nccnc1SCC2CS2 62a_100010886584_100000031435 [0,0,0,1,0,1|2,0,0]=4 6972 B13R2.3587 Clc1nccnc1SC[C@@H]2CO2 62a_100000745022_100010886584 [0,0,0,1,0,1|2,0,0]=4 6973 B13R2.3587 Clc1nccnc1SC[C@@H]2CO2 62a_100010886584_100000745022 [0,0,0,1,0,1|2,0,0]=4 6974 B13R2.3587 Fc1cccnc1CNC2CC2 34a_100000212008_100000104219 [0,0,0,1,0,1|2,0,0]=4 6975 B13R2.3587 Fc1cccnc1CNC2CC2 34a_100000690088_100000211595 [0,0,0,1,0,1|2,0,0]=4 6976 B13R2.3587 Fc1cccnc1COC2CC2 34a_100011934865_100000211595 [0,0,0,1,0,1|2,0,0]=4 6977 B13R2.3587 Fc1cccnc1CSC2CC2 62a_100000104219_100000211595 [0,0,0,1,0,1|2,0,0]=4 6978 B13R2.3587 Fc1cccnc1OCC2CC2 34a_100011219419_100000742324 [0,0,0,1,0,1|2,0,0]=4 6979 B13R2.3587 Fc1cccnc1SCC2CC2 62a_100000685392_100000742324 [0,0,0,1,0,1|2,0,0]=4 6980 B13R2.3587 Fc1cccnc1SCC2CC2 62a_100000756562_100000685392 [0,0,0,1,0,1|2,0,0]=4 6981 B13R2.3587 Fc1ncccc1CNC2CC2 34a_100000212008_100000099810 [0,0,0,1,0,1|2,0,0]=4 6982 B13R2.3587 Fc1ncccc1CNC2CC2 34a_100000724633_100000211595 [0,0,0,1,0,1|2,0,0]=4 6983 B13R2.3587 Fc1ncccc1COC2CC2 34a_100000079888_100000211595 [0,0,0,1,0,1|2,0,0]=4 6984 B13R2.3587 Fc1ncccc1CSC2CC2 62a_100000099810_100000211595 [0,0,0,1,0,1|2,0,0]=4 6985 B13R2.3587 Fc1ncccc1OCC2CC2 34a_100000061740_100000742324 [0,0,0,1,0,1|2,0,0]=4 6986 B13R2.3587 Fc1ncccc1OCC2CC2 7a_100000061740_100000742324 [0,0,0,1,0,1|2,0,0]=4 6987 B13R2.3587 Fc1ncccc1SCC2CC2 62a_100000756562_100009816115 [0,0,0,1,0,1|2,0,0]=4 6988 B13R2.3587 Fc1ncccc1SCC2CC2 62a_100009816115_100000742324 [0,0,0,1,0,1|2,0,0]=4 6989 B13R2.3587 Fc1nccnc1C#CC2CC2 271570a_200009880635_200010125657 [0,0,0,1,0,1|1,0,1]=4 6990 B13R2.3587 Fc1nccnc1C=CC2CC2 271570a_100102526188_200010125657 [0,0,0,1,0,1|1,0,1]=4 6991 B13R2.3587 Fc1nccnc1NCC2CC2 27a_100000735609_200010125657 [0,0,0,1,0,1|1,0,0]=3 6992 B13R2.3587 Fc1nccnc1SCC2CC2 62a_100000756562_200010125657 [0,0,0,1,0,1|1,0,0]=3 6993 B13R2.3587 Fc1nccnc1SCC2CC2 62a_200010125657_100000742324 [0,0,0,1,0,1|1,0,0]=3 6994 B13R2.3587 Fc1nccnc1SCC2CO2 62a_102125554688_200010125657 [0,0,0,1,0,1|2,0,0]=4 6995 B13R2.3587 Fc1nccnc1SCC2CO2 62a_200010125657_102125554688 [0,0,0,1,0,1|2,0,0]=4 6996 B13R2.3587 Fc1nccnc1SCC2CS2 62a_100000031435_200010125657 [0,0,0,1,0,1|2,0,0]=4 6997 B13R2.3587 Fc1nccnc1SCC2CS2 62a_200010125657_100000031435 [0,0,0,1,0,1|2,0,0]=4 6998 B13R2.3587 Fc1nccnc1SC[C@@H]2CO2 62a_100000745022_200010125657 [0,0,0,1,0,1|2,0,0]=4 6999 B13R2.3587 Fc1nccnc1SC[C@@H]2CO2 62a_200010125657_100000745022 [0,0,0,1,0,1|2,0,0]=4 7000 B13R2.3587 Ic1ncccc1OCC2CC2 34a_100000034122_100000742324 [0,0,0,1,0,1|2,0,0]=4 7001 B13R2.3587 Ic1ncccc1OCC2CC2 7a_100000034122_100000742324 [0,0,0,1,0,1|2,0,0]=4 7002 B13R2.3587 Nc1cccnc1COC2CC2 34a_114873767017_100000211595 [0,0,0,1,0,1|2,0,0]=4 7003 B13R2.3587 Nc1cccnc1OCC2CC2 34a_100000746358_100000742324 [0,0,0,1,0,1|2,0,0]=4 7004 B13R2.3587 Nc1cccnc1SCC2CC2 62a_100000688686_100000742324 [0,0,0,1,0,1|2,0,0]=4 7005 B13R2.3587 Nc1cccnc1SCC2CC2 62a_100000756562_100000688686 [0,0,0,1,0,1|2,0,0]=4 7006 B13R2.3587 Nc1ncccc1OCC2CC2 34a_100000211975_100000742324 [0,0,0,1,0,1|2,0,0]=4 7007 B13R2.3587 Nc1ncccc1OCC2CC2 7a_100000211975_100000742324 [0,0,0,1,0,1|2,0,0]=4 7008 B13R2.3587 Nc1ncccc1SCC2CC2 62a_100000045569_100000742324 [0,0,0,1,0,1|2,0,0]=4 7009 B13R2.3587 Nc1ncccc1SCC2CC2 62a_100000756562_100000045569 [0,0,0,1,0,1|2,0,0]=4 7010 B13R2.3587 Nc1nccnc1C#CC2CC2 271570a_200009880635_100000747729 [0,0,0,1,0,1|1,0,1]=4 7011 B13R2.3587 Nc1nccnc1C=CC2CC2 271570a_100102526188_100000747729 [0,0,0,1,0,1|1,0,1]=4 7012 B13R2.3587 Nc1nccnc1SCC2CC2 62a_100000747729_100000742324 [0,0,0,1,0,1|1,0,0]=3 7013 B13R2.3587 Nc1nccnc1SCC2CC2 62a_100000756562_100000747729 [0,0,0,1,0,1|1,0,0]=3 7014 B13R2.3587 Nc1nccnc1SCC2CO2 62a_100000747729_102125554688 [0,0,0,1,0,1|2,0,0]=4 7015 B13R2.3587 Nc1nccnc1SCC2CO2 62a_102125554688_100000747729 [0,0,0,1,0,1|2,0,0]=4 7016 B13R2.3587 Nc1nccnc1SCC2CS2 62a_100000031435_100000747729 [0,0,0,1,0,1|2,0,0]=4 7017 B13R2.3587 Nc1nccnc1SCC2CS2 62a_100000747729_100000031435 [0,0,0,1,0,1|2,0,0]=4 7018 B13R2.3587 Nc1nccnc1SC[C@@H]2CO2 62a_100000745022_100000747729 [0,0,0,1,0,1|2,0,0]=4 7019 B13R2.3587 Nc1nccnc1SC[C@@H]2CO2 62a_100000747729_100000745022 [0,0,0,1,0,1|2,0,0]=4 7020 B13R2.3587 O=c1[nH]ccnc1SCC2CC2 62a_100000756562_100000763361 [0,0,0,1,0,1|1,0,1]=4 7021 B13R2.3587 Oc1cccnc1CNC2CC2 34a_100000212008_200020655725 [0,0,0,1,0,1|2,0,0]=4 7022 B13R2.3587 Oc1cccnc1CSC2CC2 62a_200020655725_100000211595 [0,0,0,1,0,1|2,0,0]=4 7023 B13R2.3587 Oc1cccnc1OCC2CC2 271570a_203496583355_100011465199 [0,0,0,1,0,1|2,0,0]=4 7024 B13R2.3587 Oc1cccnc1SCC2CC2 62a_100000034122_100000742324 [0,0,0,1,0,1|2,0,0]=4 7025 B13R2.3587 Oc1cccnc1SCC2CC2 62a_100000756562_100000034122 [0,0,0,1,0,1|2,0,0]=4 7026 B13R2.3587 Oc1ncccc1SCC2CC2 62a_100000756562_100000760158 [0,0,0,1,0,1|2,0,0]=4 7027 B13R2.3587 Oc1ncccc1SCC2CC2 62a_100000760158_100000742324 [0,0,0,1,0,1|2,0,0]=4 7028 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,0,0,1,0,1|2,0,0]=4 7029 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,0,0,1,0,1|2,0,0]=4 7030 B13R2.621 BrCc1ncccc1OC2CC2 34a_200020655725_100000211595 [0,1,0,1,0,0|2,0,0]=4 7031 B13R2.621 CCc1ncccc1SC2CC2 62a_100009877225_100000211595 [0,1,0,1,0,0|2,0,0]=4 7032 B13R2.621 CCc1nccnc1NC2CC2 27a_100000212008_100011995844 [0,1,0,1,0,0|1,0,0]=3 7033 B13R2.621 CCc1nccnc1SC2CC2 62a_100011995844_100000211595 [0,1,0,1,0,0|1,0,0]=3 7034 B13R2.621 CNc1ncccc1SC2CC2 62a_100000700899_100000211595 [0,1,0,1,0,0|2,0,0]=4 7035 B13R2.621 COc1cccnc1OC2CC2 34a_100025773188_100000211595 [0,1,0,1,0,0|2,0,0]=4 7036 B13R2.621 COc1cccnc1SC2CC2 62a_100000767102_100000211595 [0,1,0,1,0,0|2,0,0]=4 7037 B13R2.621 COc1ncccc1OC2CC2 34a_100000698397_100000211595 [0,1,0,1,0,0|2,0,0]=4 7038 B13R2.621 COc1ncccc1SC2CC2 62a_100000047025_100000211595 [0,1,0,1,0,0|2,0,0]=4 7039 B13R2.621 COc1nccnc1NC2CC2 27a_100000212008_100009858322 [0,1,0,1,0,0|1,0,0]=3 7040 B13R2.621 COc1nccnc1SC2CC2 62a_100009858322_100000211595 [0,1,0,1,0,0|1,0,0]=3 7041 B13R2.621 CSc1ncccc1SC2CC2 62a_100011465278_100000211595 [0,1,0,1,0,0|2,0,0]=4 7042 B13R2.621 N#Cc1nccnc1NC2CC2 27a_100000212008_100000040484 [0,1,0,1,0,0|1,0,1]=4 7043 B13R2.621 NCc1cccnc1SC2CC2 62a_100015189234_100000211595 [0,1,0,1,0,0|2,0,0]=4 7044 B13R2.621 NCc1ncccc1SC2CC2 62a_100020591323_100000211595 [0,1,0,1,0,0|2,0,0]=4 7045 B13R2.621 NCc1nccnc1SC2CC2 62a_100000729963_100000211595 [0,1,0,1,0,0|1,0,0]=3 7046 B13R2.621 O=Cc1nccnc1SC2CC2 62a_100000051000_100000211595 [0,1,0,1,0,0|1,0,1]=4 7047 B13R2.621 OCc1cccnc1SC2CC2 62a_100000748726_100000211595 [0,1,0,1,0,0|2,0,0]=4 7048 B13R2.621 OCc1ncccc1OC2CC2 34a_100000731849_100000211595 [0,1,0,1,0,0|2,0,0]=4 7049 B13R2.621 OCc1ncccc1SC2CC2 62a_100011996772_100000211595 [0,1,0,1,0,0|2,0,0]=4 7050 B13R2.621 OCc1nccnc1SC2CC2 62a_100000057004_100000211595 [0,1,0,1,0,0|1,0,0]=3 7051 B13R2.215 CC1CCN1c2nccnc2F 27a_100000755817_200010125657 [0,1,0,1,0,0|2,0,0]=4 7052 B13R2.215 Cc1nccnc1N2CCC2C 27a_100000755817_100011999405 [0,1,0,1,0,0|1,0,0]=3 7053 B13R2.3097 C=C(c1cccnc1C)C2CC2 271570a_100010895485_100000751574 [0,1,0,1,0,0|1,0,1]=4 7054 B13R2.3097 C=C(c1ncccc1C)C2CC2 271570a_100010895485_100000751373 [0,1,0,1,0,0|1,0,1]=4 7055 B13R2.3097 C=C(c1nccnc1C)C2CC2 271570a_100010895485_100011999405 [0,1,0,1,0,0|0,0,1]=3 7056 B13R2.3097 C=C(c1nccnc1F)C2CC2 271570a_100010895485_200010125657 [0,1,0,1,0,0|1,0,1]=4 7057 B13R2.3097 C=C(c1nccnc1N)C2CC2 271570a_100010895485_100000747729 [0,1,0,1,0,0|1,0,1]=4 7058 B13R2.3097 CN(c1nccnc1F)C2CC2 27a_100000226674_200010125657 [0,1,0,1,0,0|2,0,0]=4 7059 B13R2.3097 Cc1nccnc1N(C)C2CC2 27a_100000226674_100011999405 [0,1,0,1,0,0|1,0,0]=3 7060 B13R2.155 CN1CCc2ncc(cc2C1)Cl 2230a_100016987718_200000210301 [0,1,0,1,0,0|2,0,0]=4 7061 B13R2.155 CN1CCc2ncc(cc2C1)Cl 269982a_100016987718_200000210301 [0,1,0,1,0,0|2,0,0]=4 7062 B13R2.155 [13CH3]N1CCc2ncc(cc2C1)Cl 2230a_100016987718_200025704644 [0,1,0,1,0,0|2,0,0]=4 7063 B13R2.155 [13CH3]N1CCc2ncc(cc2C1)Cl 269982a_100016987718_200025704644 [0,1,0,1,0,0|2,0,0]=4 7064 B13R2.175 Cc1ccc(c(n1)SC2CC2)C 62a_100009854376_100000211595 [0,1,0,1,0,0|2,0,0]=4 7065 B13R2.175 Cc1ccc(nc1SC2CC2)N 62a_100000126722_100000211595 [0,1,0,1,0,0|2,0,0]=4 7066 B13R2.175 Cc1cnc(c(c1)SC2CC2)C 62a_100009817436_100000211595 [0,1,0,1,0,0|2,0,0]=4 7067 B13R2.175 Cc1cnc(c(n1)NC2CC2)C 27a_100000212008_100000211308 [0,1,0,1,0,0|1,0,0]=3 7068 B13R2.175 Cc1cnc(c(n1)SC2CC2)C 62a_100000211308_100000211595 [0,1,0,1,0,0|1,0,0]=3 7069 B13R2.175 Cc1cnc(c(n1)SC2CC2)N 62a_100009819049_100000211595 [0,1,0,1,0,0|2,0,0]=4 7070 B13R2.175 Cc1ncc(cc1OC2CC2)Br 34a_100009864810_100000211595 [0,1,0,1,0,0|2,0,0]=4 7071 B13R2.175 Cc1ncc(cc1SC2CC2)Br 62a_200010090566_100000211595 [0,1,0,1,0,0|2,0,0]=4 7072 B13R2.175 Cc1ncc(cc1SC2CC2)F 62a_100009860710_100000211595 [0,1,0,1,0,0|2,0,0]=4 7073 B13R2.175 Cc1ncc(cc1SC2CC2)N 62a_100011998591_100000211595 [0,1,0,1,0,0|2,0,0]=4 7074 B13R2.175 Cc1ncc(cc1SC2CC2)O 62a_100009819603_100000211595 [0,1,0,1,0,0|2,0,0]=4 7075 B13R2.175 Cc1ncc(nc1SC2CC2)N 62a_100009877824_100000211595 [0,1,0,1,0,0|1,0,0]=3 7076 B13R2.175 Nc1ncc(nc1SC2CC2)Br 62a_100010988662_100000211595 [0,1,0,1,0,0|2,0,0]=4 7077 B13R2.217 CC1(CC1)Nc2nccnc2F 27a_100000757604_200010125657 [0,1,0,1,0,0|2,0,0]=4 7078 B13R2.217 Cc1nccnc1NC2(CC2)C 27a_100000757604_100011999405 [0,1,0,1,0,0|1,0,0]=3 7079 B13R2.5325 Cc1c(ccnc1NC2CC2)F 27a_100000212008_100009846374 [0,1,0,1,0,0|2,0,0]=4 7080 B13R2.5325 Cc1c(ccnc1OC2CC2)Br 34a_100009858498_100000211595 [0,1,0,1,0,0|2,0,0]=4 7081 B13R2.5325 Cc1c(ccnc1SC2CC2)F 62a_100009846374_100000211595 [0,1,0,1,0,0|2,0,0]=4 7082 B13R2.5325 Cc1c(ccnc1SC2CC2)N 62a_100000690622_100000211595 [0,1,0,1,0,0|2,0,0]=4 7083 B13R2.5325 Cc1ccnc(c1C)SC2CC2 62a_100009847204_100000211595 [0,1,0,1,0,0|2,0,0]=4 7084 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 2230a_100015190003_200000210301 [0,1,0,1,0,0|2,0,0]=4 7085 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 269982a_100015190003_200000210301 [0,1,0,1,0,0|2,0,0]=4 7086 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 34a_100015190003_200000210301 [0,1,0,1,0,0|2,0,0]=4 7087 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 2230a_100015190003_200025704644 [0,1,0,1,0,0|2,0,0]=4 7088 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 269982a_100015190003_200025704644 [0,1,0,1,0,0|2,0,0]=4 7089 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 34a_100015190003_200025704644 [0,1,0,1,0,0|2,0,0]=4 7090 B13R2.5400 Brc1cnc(c(n1)Br)SC2CC2 62a_100010235571_100000211595 [0,1,0,1,0,0|2,0,0]=4 7091 B13R2.5400 Cc1cc(cnc1OC2CC2)Br 34a_100000685391_100000211595 [0,1,0,1,0,0|2,0,0]=4 7092 B13R2.5400 Cc1cc(cnc1SC2CC2)Br 62a_100012353652_100000211595 [0,1,0,1,0,0|2,0,0]=4 7093 B13R2.5400 Cc1cc(cnc1SC2CC2)F 62a_100009817009_100000211595 [0,1,0,1,0,0|2,0,0]=4 7094 B13R2.5400 Cc1cc(cnc1SC2CC2)N 62a_100000761747_100000211595 [0,1,0,1,0,0|2,0,0]=4 7095 B13R2.5400 Cc1cc(cnc1SC2CC2)O 62a_100012000486_100000211595 [0,1,0,1,0,0|2,0,0]=4 7096 B13R2.5400 Cc1ccc(c(n1)C)OC2CC2 34a_100011218912_100000211595 [0,1,0,1,0,0|2,0,0]=4 7097 B13R2.5400 Cc1ccc(c(n1)C)SC2CC2 62a_100009813853_100000211595 [0,1,0,1,0,0|2,0,0]=4 7098 B13R2.5400 Cc1cnc(c(c1)C)SC2CC2 62a_100009864548_100000211595 [0,1,0,1,0,0|2,0,0]=4 7099 B13R2.5400 Cc1cnc(c(n1)C)SC2CC2 62a_100000065684_100000211595 [0,1,0,1,0,0|1,0,0]=3 7100 B13R2.5400 Cc1nc(ccc1OC2CC2)Br 34a_100012002022_100000211595 [0,1,0,1,0,0|2,0,0]=4 7101 B13R2.5400 Cc1nc(ccc1OC2CC2)Cl 34a_100012184626_100000211595 [0,1,0,1,0,0|2,0,0]=4 7102 B13R2.5400 Cc1nc(ccc1OC2CC2)F 34a_100009881036_100000211595 [0,1,0,1,0,0|2,0,0]=4 7103 B13R2.5400 Cc1nc(ccc1OC2CC2)I 34a_100010233687_100000211595 [0,1,0,1,0,0|2,0,0]=4 7104 B13R2.5400 Cc1nc(ccc1SC2CC2)Cl 62a_100000062408_100000211595 [0,1,0,1,0,0|2,0,0]=4 7105 B13R2.5400 Cc1nc(ccc1SC2CC2)F 62a_100000688911_100000211595 [0,1,0,1,0,0|2,0,0]=4 7106 B13R2.5400 Cc1nc(ccc1SC2CC2)N 62a_100000187202_100000211595 [0,1,0,1,0,0|2,0,0]=4 7107 B13R2.5400 Cc1nc(ccc1SC2CC2)O 62a_100000691680_100000211595 [0,1,0,1,0,0|2,0,0]=4 7108 B13R2.5400 Cc1nc(cnc1SC2CC2)N 62a_100009818570_100000211595 [0,1,0,1,0,0|1,0,0]=3 7109 B13R2.5400 Clc1nc(cnc1OC2CC2)Br 34a_100010734560_100000211595 [0,1,0,1,0,0|2,0,0]=4 7110 B13R2.5400 Nc1cnc(c(n1)Cl)SC2CC2 62a_100010116657_100000211595 [0,1,0,1,0,0|2,0,0]=4 7111 B13R2.54 CNC1Cc2cccc(c2C1)C 270004a_106832991635_100010637320 [0,1,0,1,0,0|2,0,0]=4 7112 B13R2.57 CCN1CCc2cccnc2C1 2230a_100015206102_100000210202 [0,1,0,1,0,0|2,0,0]=4 7113 B13R2.57 CCN1CCc2cccnc2C1 269982a_100015206102_100000204670 [0,1,0,1,0,0|2,0,0]=4 7114 B13R2.57 CCN1CCc2ncccc2C1 2230a_100000699647_100000210202 [0,1,0,1,0,0|2,0,0]=4 7115 B13R2.57 CCN1CCc2ncccc2C1 269982a_100000699647_100000204670 [0,1,0,1,0,0|2,0,0]=4 7116 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,1,0,0|2,0,0]=4 7117 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,1,0,0|2,0,0]=4 7118 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,1,0,0|2,0,0]=4 7119 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 7120 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 7121 B13R2.57 FCN1CCc2cccnc2C1 269982a_100015206102_100015361967 [0,1,0,1,0,0|2,0,0]=4 7122 B13R2.57 FCN1CCc2ncccc2C1 269982a_100000699647_100015361967 [0,1,0,1,0,0|2,0,0]=4 7123 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,1,0,0|2,0,0]=4 7124 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,1,0,0|2,0,0]=4 7125 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 7126 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 7127 B13R2.103 CC1(Cc2ccccc2C1)N[13CH3] 2230a_100000706725_200025704644 [0,1,0,1,0,0|2,0,0]=4 7128 B13R2.103 CC1(Cc2ccccc2C1)N[13CH3] 34a_100000706725_200025704644 [0,1,0,1,0,0|2,0,0]=4 7129 B13R2.103 CNC1(Cc2ccccc2C1)C 2230a_100000706725_200000210301 [0,1,0,1,0,0|2,0,0]=4 7130 B13R2.103 CNC1(Cc2ccccc2C1)C 34a_100000706725_200000210301 [0,1,0,1,0,0|2,0,0]=4 7131 B13R2.5225 Cc1cccnc1CN2CCC2 269982a_100000754969_100000696600 [0,1,0,1,0,0|2,0,0]=4 7132 B13R2.5225 Cc1cccnc1SC2CCC2 62a_100000751373_100000749161 [0,1,0,1,0,0|2,0,0]=4 7133 B13R2.5225 Cc1cccnc1SC2COC2 62a_100000751373_100009818527 [0,1,0,1,0,0|2,0,0]=4 7134 B13R2.5225 Cc1ncccc1CN2CCC2 269982a_100000754969_100000732876 [0,1,0,1,0,0|2,0,0]=4 7135 B13R2.5225 Cc1ncccc1OC2CCC2 34a_100000745507_100000749161 [0,1,0,1,0,0|2,0,0]=4 7136 B13R2.5225 Cc1ncccc1OC2COC2 34a_100000745507_100009818527 [0,1,0,1,0,0|2,0,0]=4 7137 B13R2.5225 Cc1ncccc1OC2COC2 7a_100000745507_100009818527 [0,1,0,1,0,0|2,0,0]=4 7138 B13R2.5225 Cc1ncccc1SC2CCC2 62a_100000751574_100000749161 [0,1,0,1,0,0|2,0,0]=4 7139 B13R2.5225 Cc1ncccc1SC2COC2 62a_100000751574_100009818527 [0,1,0,1,0,0|2,0,0]=4 7140 B13R2.5225 Cc1nccnc1NC2CCC2 27a_100000749019_100011999405 [0,1,0,1,0,0|1,0,0]=3 7141 B13R2.5225 Cc1nccnc1NC2COC2 27a_100016991112_100011999405 [0,1,0,1,0,0|1,0,0]=3 7142 B13R2.5225 Cc1nccnc1NC2CSC2 27a_100016994217_100011999405 [0,1,0,1,0,0|1,0,0]=3 7143 B13R2.5225 Cc1nccnc1OC2CCC2 34a_100000766352_100000749161 [0,1,0,1,0,0|1,0,0]=3 7144 B13R2.5225 Cc1nccnc1OC2COC2 34a_100000766352_100009818527 [0,1,0,1,0,0|1,0,0]=3 7145 B13R2.5225 Cc1nccnc1SC2CCC2 62a_100011999405_100000749161 [0,1,0,1,0,0|1,0,0]=3 7146 B13R2.5225 Cc1nccnc1SC2COC2 62a_100011999405_100009818527 [0,1,0,1,0,0|1,0,0]=3 7147 B13R2.5225 Clc1nccnc1SC2CCC2 62a_100010886584_100000749161 [0,1,0,1,0,0|2,0,0]=4 7148 B13R2.5225 Clc1nccnc1SC2COC2 62a_100010886584_100009818527 [0,1,0,1,0,0|2,0,0]=4 7149 B13R2.5225 Fc1nccnc1NC2CCC2 27a_100000749019_200010125657 [0,1,0,1,0,0|2,0,0]=4 7150 B13R2.5225 Fc1nccnc1NC2COC2 27a_100016991112_200010125657 [0,1,0,1,0,0|2,0,0]=4 7151 B13R2.5225 Fc1nccnc1NC2CSC2 27a_100016994217_200010125657 [0,1,0,1,0,0|2,0,0]=4 7152 B13R2.5225 Fc1nccnc1SC2CCC2 62a_200010125657_100000749161 [0,1,0,1,0,0|2,0,0]=4 7153 B13R2.5225 Fc1nccnc1SC2COC2 62a_200010125657_100009818527 [0,1,0,1,0,0|2,0,0]=4 7154 B13R2.5225 Nc1nccnc1SC2CCC2 62a_100000747729_100000749161 [0,1,0,1,0,0|2,0,0]=4 7155 B13R2.5225 Nc1nccnc1SC2COC2 62a_100000747729_100009818527 [0,1,0,1,0,0|2,0,0]=4 7156 B13R2.402 Cc1ccnc(c1OC2CC2)C 34a_100011934651_100000211595 [0,1,0,1,0,0|2,0,0]=4 7157 B13R2.402 Cc1ccnc(c1SC2CC2)C 62a_100012000501_100000211595 [0,1,0,1,0,0|2,0,0]=4 7158 B13R2.402 Cc1nccc(c1SC2CC2)N 62a_100010243816_100000211595 [0,1,0,1,0,0|2,0,0]=4 7159 B9R1.33 CCNc1ncnn1C 27a_100015525214_100000732653 [1,0,0,0,1,0|2,0,0]=4 7160 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [1,0,0,0,1,0|2,0,0]=4 7161 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [1,0,0,0,1,0|2,0,0]=4 7162 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [1,0,0,0,1,0|2,0,0]=4 7163 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [1,0,0,0,1,0|2,0,0]=4 7164 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [1,0,0,0,1,0|2,0,0]=4 7165 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [1,0,0,0,1,0|2,0,0]=4 7166 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [1,0,0,0,1,0|2,0,0]=4 7167 B9R1.33 CCSc1n[nH]cc1C 62a_100000210202_100009871783 [1,0,0,0,1,0|2,0,0]=4 7168 B9R1.33 CCSc1n[nH]cc1C 62a_100009871783_100000210202 [1,0,0,0,1,0|2,0,0]=4 7169 B9R1.33 CCSc1nc[nH]c1C 62a_100000210202_100010186451 [1,0,0,0,1,0|1,0,1]=4 7170 B9R1.33 CCSc1nc[nH]c1C 62a_100010186451_100000210202 [1,0,0,0,1,0|1,0,1]=4 7171 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [1,0,0,0,1,0|2,0,0]=4 7172 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [1,0,0,0,1,0|2,0,0]=4 7173 B9R1.33 CCSc1ncnn1C 62a_100000210202_100000732653 [1,0,0,0,1,0|2,0,0]=4 7174 B9R1.33 CCSc1ncnn1C 62a_100000732653_100000210202 [1,0,0,0,1,0|2,0,0]=4 7175 B9R1.33 CCSc1ncsc1C 62a_100000210202_100000732656 [1,0,0,0,1,0|2,0,0]=4 7176 B9R1.33 CCSc1ncsc1C 62a_100000732656_100000210202 [1,0,0,0,1,0|2,0,0]=4 7177 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,0,0,0,1,0|2,0,0]=4 7178 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,0,0,0,1,0|2,0,0]=4 7179 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [1,0,0,0,1,0|2,0,0]=4 7180 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [1,0,0,0,1,0|2,0,0]=4 7181 B9R1.33 CNCc1c[nH]nc1C 207a_100102657272_100000737037 [1,0,0,0,1,0|2,0,0]=4 7182 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [1,0,0,0,1,0|2,0,0]=4 7183 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [1,0,0,0,1,0|2,0,0]=4 7184 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [1,0,0,0,1,0|2,0,0]=4 7185 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [1,0,0,0,1,0|2,0,0]=4 7186 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [1,0,0,0,1,0|2,0,0]=4 7187 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [1,0,0,0,1,0|2,0,0]=4 7188 B9R1.33 CNCc1nc[nH]c1C 207a_100102657272_100000032982 [1,0,0,0,1,0|1,0,1]=4 7189 B9R1.33 CNCc1nc[nH]c1C 2230a_106832991635_100000751220 [1,0,0,0,1,0|1,0,1]=4 7190 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [1,0,0,0,1,0|2,0,0]=4 7191 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [1,0,0,0,1,0|2,0,0]=4 7192 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [1,0,0,0,1,0|2,0,0]=4 7193 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [1,0,0,0,1,0|2,0,0]=4 7194 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [1,0,0,0,1,0|2,0,0]=4 7195 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [1,0,0,0,1,0|2,0,0]=4 7196 B9R1.33 CNCc1ncoc1C 2230a_106832991635_200000693990 [1,0,0,0,1,0|2,0,0]=4 7197 B9R1.33 CNCc1ncoc1C 34a_100102657272_200000693990 [1,0,0,0,1,0|2,0,0]=4 7198 B9R1.33 CNCc1ncoc1C 7a_106832991635_200000693990 [1,0,0,0,1,0|2,0,0]=4 7199 B9R1.33 CNCc1nonc1C 2230a_106832991635_200000044682 [1,0,0,0,1,0|2,0,0]=4 7200 B9R1.33 CNCc1nonc1C 34a_100102657272_200000044682 [1,0,0,0,1,0|2,0,0]=4 7201 B9R1.33 CNCc1nonc1C 7a_106832991635_200000044682 [1,0,0,0,1,0|2,0,0]=4 7202 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,0,0,0,1,0|2,0,0]=4 7203 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,0,0,0,1,0|2,0,0]=4 7204 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [1,0,0,0,1,0|2,0,0]=4 7205 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [1,0,0,0,1,0|2,0,0]=4 7206 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [1,0,0,0,1,0|2,0,0]=4 7207 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [1,0,0,0,1,0|2,0,0]=4 7208 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [1,0,0,0,1,0|2,0,0]=4 7209 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [1,0,0,0,1,0|2,0,0]=4 7210 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [1,0,0,0,1,0|2,0,0]=4 7211 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [1,0,0,0,1,0|2,0,0]=4 7212 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [1,0,0,0,1,0|2,0,0]=4 7213 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [1,0,0,0,1,0|2,0,0]=4 7214 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [1,0,0,0,1,0|2,0,0]=4 7215 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [1,0,0,0,1,0|2,0,0]=4 7216 B9R1.33 COCc1ncnn1C 7a_100000688323_200000210301 [1,0,0,0,1,0|2,0,0]=4 7217 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [1,0,0,0,1,0|2,0,0]=4 7218 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [1,0,0,0,1,0|2,0,0]=4 7219 B9R1.33 COCc1nonc1C 34a_100138415774_200000044682 [1,0,0,0,1,0|2,0,0]=4 7220 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [1,0,0,0,1,0|2,0,0]=4 7221 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [1,0,0,0,1,0|2,0,0]=4 7222 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [1,0,0,0,1,0|2,0,0]=4 7223 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [1,0,0,0,1,0|2,0,0]=4 7224 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [1,0,0,0,1,0|2,0,0]=4 7225 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [1,0,0,0,1,0|2,0,0]=4 7226 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [1,0,0,0,1,0|2,0,0]=4 7227 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [1,0,0,0,1,0|2,0,0]=4 7228 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [1,0,0,0,1,0|2,0,0]=4 7229 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [1,0,0,0,1,0|2,0,0]=4 7230 B9R1.33 CSCc1nc[nH]c1C 62a_100000751220_200000210301 [1,0,0,0,1,0|1,0,1]=4 7231 B9R1.33 CSCc1nc[nH]c1C 62a_200000210301_100000751220 [1,0,0,0,1,0|1,0,1]=4 7232 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [1,0,0,0,1,0|2,0,0]=4 7233 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [1,0,0,0,1,0|2,0,0]=4 7234 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [1,0,0,0,1,0|2,0,0]=4 7235 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [1,0,0,0,1,0|2,0,0]=4 7236 B9R1.33 CSCc1nonc1C 62a_200000044682_200000210301 [1,0,0,0,1,0|2,0,0]=4 7237 B9R1.33 CSCc1nonc1C 62a_200000210301_200000044682 [1,0,0,0,1,0|2,0,0]=4 7238 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_100000751220_200025704644 [1,0,0,0,1,0|1,0,1]=4 7239 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_200025704644_100000751220 [1,0,0,0,1,0|1,0,1]=4 7240 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [1,0,0,0,1,0|2,0,0]=4 7241 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [1,0,0,0,1,0|2,0,0]=4 7242 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [1,0,0,0,1,0|2,0,0]=4 7243 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [1,0,0,0,1,0|2,0,0]=4 7244 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [1,0,0,0,1,0|2,0,0]=4 7245 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [1,0,0,0,1,0|2,0,0]=4 7246 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [1,0,0,0,1,0|2,0,0]=4 7247 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [1,0,0,0,1,0|2,0,0]=4 7248 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [1,0,0,0,1,0|2,0,0]=4 7249 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [1,0,0,0,1,0|2,0,0]=4 7250 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [1,0,0,0,1,0|2,0,0]=4 7251 B9R1.33 Cc1nonc1CS[13CH3] 62a_200000044682_200025704644 [1,0,0,0,1,0|2,0,0]=4 7252 B9R1.33 Cc1nonc1CS[13CH3] 62a_200025704644_200000044682 [1,0,0,0,1,0|2,0,0]=4 7253 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [1,0,0,0,1,0|2,0,0]=4 7254 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [1,0,0,0,1,0|2,0,0]=4 7255 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [1,0,0,0,1,0|2,0,0]=4 7256 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [1,0,0,0,1,0|2,0,0]=4 7257 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [1,0,0,0,1,0|2,0,0]=4 7258 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [1,0,0,0,1,0|2,0,0]=4 7259 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [1,0,0,0,1,0|2,0,0]=4 7260 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [1,0,0,0,1,0|2,0,0]=4 7261 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [1,0,0,0,1,0|2,0,0]=4 7262 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [1,0,0,0,1,0|2,0,0]=4 7263 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [1,0,0,0,1,0|2,0,0]=4 7264 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [1,0,0,0,1,0|2,0,0]=4 7265 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [1,0,0,0,1,0|2,0,0]=4 7266 B9R1.33 Cn1ncnc1CO[13CH3] 7a_100000688323_200025704644 [1,0,0,0,1,0|2,0,0]=4 7267 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,1,0|0,0,2]=4 7268 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [1,0,0,0,1,0|1,0,0]=3 7269 B9R1.13 CC(C)Nc1ncns1 27a_100138425928_100000693119 [1,0,0,0,1,0|2,0,0]=4 7270 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [1,0,0,0,1,0|2,0,0]=4 7271 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [1,0,0,0,1,0|2,0,0]=4 7272 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000210206_100000756875 [1,0,0,0,1,0|1,0,1]=4 7273 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000756875_100000210206 [1,0,0,0,1,0|1,0,1]=4 7274 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000062575_100000210206 [1,0,0,0,1,0|2,0,0]=4 7275 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000210206_100000062575 [1,0,0,0,1,0|2,0,0]=4 7276 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,0,0,0,1,0|2,0,0]=4 7277 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,0,0,0,1,0|2,0,0]=4 7278 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,0,0,0,1,0|2,0,0]=4 7279 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,0,0,0,1,0|2,0,0]=4 7280 B9R1.13 CC(C)Sc1ccoc1 62a_100000210206_100011215275 [1,0,0,0,1,0|2,0,0]=4 7281 B9R1.13 CC(C)Sc1ccoc1 62a_100011215275_100000210206 [1,0,0,0,1,0|2,0,0]=4 7282 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [1,0,0,0,1,0|2,0,0]=4 7283 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [1,0,0,0,1,0|2,0,0]=4 7284 B9R1.13 CC(C)Sc1ccsc1 62a_100000210206_100000738268 [1,0,0,0,1,0|2,0,0]=4 7285 B9R1.13 CC(C)Sc1ccsc1 62a_100000738268_100000210206 [1,0,0,0,1,0|2,0,0]=4 7286 B9R1.13 CC(C)Sc1ccsn1 62a_100000210206_100009818082 [1,0,0,0,1,0|2,0,0]=4 7287 B9R1.13 CC(C)Sc1ccsn1 62a_100009818082_100000210206 [1,0,0,0,1,0|2,0,0]=4 7288 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000210206_100000238712 [1,0,0,0,1,0|2,0,0]=4 7289 B9R1.13 CC(C)Sc1cn[nH]c1 62a_100000238712_100000210206 [1,0,0,0,1,0|2,0,0]=4 7290 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [1,0,0,0,1,0|2,0,0]=4 7291 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [1,0,0,0,1,0|2,0,0]=4 7292 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [1,0,0,0,1,0|2,0,0]=4 7293 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [1,0,0,0,1,0|2,0,0]=4 7294 B9R1.13 CC(C)Sc1cnoc1 62a_100000210206_100009815712 [1,0,0,0,1,0|2,0,0]=4 7295 B9R1.13 CC(C)Sc1cnoc1 62a_100009815712_100000210206 [1,0,0,0,1,0|2,0,0]=4 7296 B9R1.13 CC(C)Sc1cnsc1 62a_100000210206_100009815736 [1,0,0,0,1,0|2,0,0]=4 7297 B9R1.13 CC(C)Sc1cnsc1 62a_100009815736_100000210206 [1,0,0,0,1,0|2,0,0]=4 7298 B9R1.13 CC(C)Sc1cscn1 62a_100000210206_100000751502 [1,0,0,0,1,0|2,0,0]=4 7299 B9R1.13 CC(C)Sc1cscn1 62a_100000751502_100000210206 [1,0,0,0,1,0|2,0,0]=4 7300 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000210206_100000761765 [1,0,0,0,1,0|2,0,0]=4 7301 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000761765_100000210206 [1,0,0,0,1,0|2,0,0]=4 7302 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [1,0,0,0,1,0|1,0,1]=4 7303 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [1,0,0,0,1,0|1,0,1]=4 7304 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [1,0,0,0,1,0|2,0,0]=4 7305 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [1,0,0,0,1,0|2,0,0]=4 7306 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [1,0,0,0,1,0|2,0,0]=4 7307 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [1,0,0,0,1,0|2,0,0]=4 7308 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [1,0,0,0,1,0|2,0,0]=4 7309 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [1,0,0,0,1,0|2,0,0]=4 7310 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [1,0,0,0,1,0|1,0,1]=4 7311 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [1,0,0,0,1,0|1,0,1]=4 7312 B9R1.13 CN(C)Cc1cc[nH]n1 270004a_100102631434_100000738523 [1,0,0,0,1,0|2,0,0]=4 7313 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,0,0,0,1,0|2,0,0]=4 7314 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,0,0,0,1,0|2,0,0]=4 7315 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,0,0,0,1,0|2,0,0]=4 7316 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,0,0,0,1,0|2,0,0]=4 7317 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,0,0,0,1,0|2,0,0]=4 7318 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,0,0,0,1,0|2,0,0]=4 7319 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [1,0,0,0,1,0|2,0,0]=4 7320 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [1,0,0,0,1,0|2,0,0]=4 7321 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [1,0,0,0,1,0|2,0,0]=4 7322 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [1,0,0,0,1,0|2,0,0]=4 7323 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [1,0,0,0,1,0|2,0,0]=4 7324 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [1,0,0,0,1,0|2,0,0]=4 7325 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [1,0,0,0,1,0|2,0,0]=4 7326 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [1,0,0,0,1,0|2,0,0]=4 7327 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [1,0,0,0,1,0|2,0,0]=4 7328 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [1,0,0,0,1,0|2,0,0]=4 7329 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [1,0,0,0,1,0|2,0,0]=4 7330 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [1,0,0,0,1,0|2,0,0]=4 7331 B9R1.13 CN(C)Cc1cn[nH]c1 270004a_100102631434_100016992096 [1,0,0,0,1,0|2,0,0]=4 7332 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [1,0,0,0,1,0|2,0,0]=4 7333 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [1,0,0,0,1,0|2,0,0]=4 7334 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [1,0,0,0,1,0|2,0,0]=4 7335 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [1,0,0,0,1,0|2,0,0]=4 7336 B9R1.13 CN(C)Cc1cocn1 270004a_100102631434_100000050382 [1,0,0,0,1,0|2,0,0]=4 7337 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [1,0,0,0,1,0|2,0,0]=4 7338 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [1,0,0,0,1,0|2,0,0]=4 7339 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [1,0,0,0,1,0|2,0,0]=4 7340 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [1,0,0,0,1,0|2,0,0]=4 7341 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [1,0,0,0,1,0|2,0,0]=4 7342 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [1,0,0,0,1,0|1,0,1]=4 7343 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [1,0,0,0,1,0|1,0,1]=4 7344 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [1,0,0,0,1,0|1,0,1]=4 7345 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [1,0,0,0,1,0|1,0,1]=4 7346 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [1,0,0,0,1,0|2,0,0]=4 7347 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [1,0,0,0,1,0|2,0,0]=4 7348 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [1,0,0,0,1,0|2,0,0]=4 7349 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [1,0,0,0,1,0|2,0,0]=4 7350 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [1,0,0,0,1,0|2,0,0]=4 7351 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [1,0,0,0,1,0|2,0,0]=4 7352 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [1,0,0,0,1,0|2,0,0]=4 7353 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [1,0,0,0,1,0|2,0,0]=4 7354 B9R1.13 CN(C)Cc1ncon1 269982a_100000697192_200000210301 [1,0,0,0,1,0|2,0,0]=4 7355 B9R1.13 CN(C)Cc1ncon1 269982a_100102631434_100000233494 [1,0,0,0,1,0|2,0,0]=4 7356 B9R1.13 CN(C)Cn1cncn1 2230a_100102631434_200020645497 [1,0,0,0,1,0|2,0,0]=4 7357 B9R1.13 CN(C)Cn1cncn1 269982a_100102631434_200020645497 [1,0,0,0,1,0|2,0,0]=4 7358 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,0,0,0,1,0|2,0,0]=4 7359 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,0,0,0,1,0|2,0,0]=4 7360 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,0,0,0,1,0|2,0,0]=4 7361 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,0,0,0,1,0|2,0,0]=4 7362 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [1,0,0,0,1,0|2,0,0]=4 7363 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [1,0,0,0,1,0|2,0,0]=4 7364 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [1,0,0,0,1,0|2,0,0]=4 7365 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [1,0,0,0,1,0|2,0,0]=4 7366 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [1,0,0,0,1,0|2,0,0]=4 7367 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [1,0,0,0,1,0|2,0,0]=4 7368 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [1,0,0,0,1,0|1,0,1]=4 7369 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [1,0,0,0,1,0|1,0,1]=4 7370 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [1,0,0,0,1,0|2,0,0]=4 7371 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [1,0,0,0,1,0|2,0,0]=4 7372 B9R1.13 CN([13CH3])Cc1ncon1 269982a_100000697192_200025704644 [1,0,0,0,1,0|2,0,0]=4 7373 B9R1.41 CC(C)n1ccnc1O 271570a_203496583355_100009820211 [0,0,0,0,2,0|2,0,0]=4 7374 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [0,0,0,0,2,0|2,0,0]=4 7375 B9R1.41 CC(C)n1ncnc1O 271570a_203496583355_100009989917 [0,0,0,0,2,0|2,0,0]=4 7376 B9R1.41 CN(C)c1ncnn1C 27a_100102631434_100000732653 [0,0,0,0,2,0|2,0,0]=4 7377 B13R1.158 C=C(C)CCOc1nccnc1C 34a_100000766352_100000730704 [0,0,0,0,0,2|0,0,2]=4 7378 B13R1.158 C=C(C)CCSc1nccnc1C 62a_100000730704_100011999405 [0,0,0,0,0,2|0,0,2]=4 7379 B13R1.158 C=C(C)CCSc1nccnc1C 62a_100011999405_100000730704 [0,0,0,0,0,2|0,0,2]=4 7380 B13R1.158 C=C(C)CNCc1nccnc1C 2230a_100020641712_100000748629 [0,0,0,0,0,2|0,0,2]=4 7381 B13R1.158 C=C(C)CNCc1nccnc1C 34a_100020641712_100000748629 [0,0,0,0,0,2|0,0,2]=4 7382 B13R1.158 CC(=CCNc1nccnc1C)C 27a_100000718196_100011999405 [0,0,0,0,0,2|0,0,1]=3 7383 B13R1.158 CC(=CCNc1nccnc1F)C 27a_100000718196_200010125657 [0,0,0,0,0,2|1,0,1]=4 7384 B13R1.158 CC(=CCOc1cccnc1C)C 34a_100000745507_100000761012 [0,0,0,0,0,2|1,0,1]=4 7385 B13R1.158 CC(=CCOc1cccnc1C)C 7a_100000745507_100000761012 [0,0,0,0,0,2|1,0,1]=4 7386 B13R1.158 CC(=CCOc1nccnc1C)C 34a_100000766352_100000761012 [0,0,0,0,0,2|0,0,1]=3 7387 B13R1.158 CC(=CCSc1cccnc1C)C 62a_100000751574_100000761012 [0,0,0,0,0,2|1,0,1]=4 7388 B13R1.158 CC(=CCSc1cccnc1C)C 62a_100000761012_100000751574 [0,0,0,0,0,2|1,0,1]=4 7389 B13R1.158 CC(=CCSc1ncccc1C)C 62a_100000751373_100000761012 [0,0,0,0,0,2|1,0,1]=4 7390 B13R1.158 CC(=CCSc1ncccc1C)C 62a_100000761012_100000751373 [0,0,0,0,0,2|1,0,1]=4 7391 B13R1.158 CC(=CCSc1nccnc1C)C 62a_100000761012_100011999405 [0,0,0,0,0,2|0,0,1]=3 7392 B13R1.158 CC(=CCSc1nccnc1C)C 62a_100011999405_100000761012 [0,0,0,0,0,2|0,0,1]=3 7393 B13R1.158 CC(=CCSc1nccnc1Cl)C 62a_100000761012_100010886584 [0,0,0,0,0,2|1,0,1]=4 7394 B13R1.158 CC(=CCSc1nccnc1Cl)C 62a_100010886584_100000761012 [0,0,0,0,0,2|1,0,1]=4 7395 B13R1.158 CC(=CCSc1nccnc1F)C 62a_100000761012_200010125657 [0,0,0,0,0,2|1,0,1]=4 7396 B13R1.158 CC(=CCSc1nccnc1F)C 62a_200010125657_100000761012 [0,0,0,0,0,2|1,0,1]=4 7397 B13R1.158 CC(=CCSc1nccnc1N)C 62a_100000747729_100000761012 [0,0,0,0,0,2|1,0,1]=4 7398 B13R1.158 CC(=CCSc1nccnc1N)C 62a_100000761012_100000747729 [0,0,0,0,0,2|1,0,1]=4 7399 B13R1.158 CC(=O)CCSc1nccnc1C 62a_100000053229_100011999405 [0,0,0,0,0,2|1,0,1]=4 7400 B13R1.158 CC(=O)CCSc1nccnc1C 62a_100011999405_100000053229 [0,0,0,0,0,2|1,0,1]=4 7401 B13R1.158 CC(=O)OCOc1nccnc1C 34a_100000766352_100009813279 [0,0,0,0,0,2|1,0,1]=4 7402 B13R1.158 CC(=O)OCSc1nccnc1C 62a_100000076356_100011999405 [0,0,0,0,0,2|1,0,1]=4 7403 B13R1.158 CC(=O)OCSc1nccnc1C 62a_100011999405_100000076356 [0,0,0,0,0,2|1,0,1]=4 7404 B13R1.158 CC(C)C=NNc1nccnc1Cl 4a_100000755098_100000210432 [0,0,0,0,0,2|1,0,1]=4 7405 B13R1.158 CC(C)CC=Cc1cccnc1Br 271570a_100016259101_100010202626 [0,0,0,0,0,2|2,0,0]=4 7406 B13R1.158 CC(C)CC=Cc1cccnc1Cl 271570a_100016259101_100000036424 [0,0,0,0,0,2|2,0,0]=4 7407 B13R1.158 CC(C)CC=Cc1cccnc1F 271570a_100016259101_100009816115 [0,0,0,0,0,2|2,0,0]=4 7408 B13R1.158 CC(C)CC=Cc1cccnc1N 271570a_100016259101_100000045569 [0,0,0,0,0,2|2,0,0]=4 7409 B13R1.158 CC(C)CC=Cc1ncc[nH]c1=O 271570a_100016259101_100000763361 [0,0,0,0,0,2|1,0,1]=4 7410 B13R1.158 CC(C)CC=Cc1ncccc1Br 271570a_100016259101_100000696092 [0,0,0,0,0,2|2,0,0]=4 7411 B13R1.158 CC(C)CC=Cc1ncccc1Cl 271570a_100016259101_100011356963 [0,0,0,0,0,2|2,0,0]=4 7412 B13R1.158 CC(C)CC=Cc1ncccc1F 271570a_100016259101_100000685392 [0,0,0,0,0,2|2,0,0]=4 7413 B13R1.158 CC(C)CC=Cc1ncccc1N 271570a_100016259101_100000688686 [0,0,0,0,0,2|2,0,0]=4 7414 B13R1.158 CC(C)CC=Cc1ncccc1O 271570a_100016259101_100000034122 [0,0,0,0,0,2|2,0,0]=4 7415 B13R1.158 CC(C)CC=Cc1nccnc1F 271570a_100016259101_200010125657 [0,0,0,0,0,2|1,0,0]=3 7416 B13R1.158 CC(C)CC=Cc1nccnc1N 271570a_100016259101_100000747729 [0,0,0,0,0,2|1,0,0]=3 7417 B13R1.158 CC(C)CCNc1ncccc1Br 27a_100000210545_100000696092 [0,0,0,0,0,2|2,0,0]=4 7418 B13R1.158 CC(C)CCNc1nccnc1F 27a_100000210545_200010125657 [0,0,0,0,0,2|1,0,0]=3 7419 B13R1.158 CC(C)CCOc1cccnc1Br 34a_100000744436_100000210312 [0,0,0,0,0,2|2,0,0]=4 7420 B13R1.158 CC(C)CCOc1cccnc1Br 7a_100000744436_100000210626 [0,0,0,0,0,2|2,0,0]=4 7421 B13R1.158 CC(C)CCOc1cccnc1Cl 34a_100000757616_100000210312 [0,0,0,0,0,2|2,0,0]=4 7422 B13R1.158 CC(C)CCOc1cccnc1Cl 7a_100000757616_100000210626 [0,0,0,0,0,2|2,0,0]=4 7423 B13R1.158 CC(C)CCOc1cccnc1F 34a_100000061740_100000210312 [0,0,0,0,0,2|2,0,0]=4 7424 B13R1.158 CC(C)CCOc1cccnc1F 7a_100000061740_100000210626 [0,0,0,0,0,2|2,0,0]=4 7425 B13R1.158 CC(C)CCOc1cccnc1I 34a_100000034122_100000210312 [0,0,0,0,0,2|2,0,0]=4 7426 B13R1.158 CC(C)CCOc1cccnc1I 7a_100000034122_100000210626 [0,0,0,0,0,2|2,0,0]=4 7427 B13R1.158 CC(C)CCOc1cccnc1N 34a_100000211975_100000210312 [0,0,0,0,0,2|2,0,0]=4 7428 B13R1.158 CC(C)CCOc1cccnc1N 7a_100000211975_100000210626 [0,0,0,0,0,2|2,0,0]=4 7429 B13R1.158 CC(C)CCOc1ncccc1Cl 34a_100011290957_100000210312 [0,0,0,0,0,2|2,0,0]=4 7430 B13R1.158 CC(C)CCOc1ncccc1F 34a_100011219419_100000210312 [0,0,0,0,0,2|2,0,0]=4 7431 B13R1.158 CC(C)CCOc1ncccc1N 34a_100000746358_100000210312 [0,0,0,0,0,2|2,0,0]=4 7432 B13R1.158 CC(C)CCSc1cccnc1Br 62a_100000210312_100010202626 [0,0,0,0,0,2|2,0,0]=4 7433 B13R1.158 CC(C)CCSc1cccnc1Br 62a_100010202626_100000210312 [0,0,0,0,0,2|2,0,0]=4 7434 B13R1.158 CC(C)CCSc1cccnc1Cl 62a_100000036424_100000210312 [0,0,0,0,0,2|2,0,0]=4 7435 B13R1.158 CC(C)CCSc1cccnc1Cl 62a_100000210312_100000036424 [0,0,0,0,0,2|2,0,0]=4 7436 B13R1.158 CC(C)CCSc1cccnc1F 62a_100000210312_100009816115 [0,0,0,0,0,2|2,0,0]=4 7437 B13R1.158 CC(C)CCSc1cccnc1F 62a_100009816115_100000210312 [0,0,0,0,0,2|2,0,0]=4 7438 B13R1.158 CC(C)CCSc1cccnc1N 62a_100000045569_100000210312 [0,0,0,0,0,2|2,0,0]=4 7439 B13R1.158 CC(C)CCSc1cccnc1N 62a_100000210312_100000045569 [0,0,0,0,0,2|2,0,0]=4 7440 B13R1.158 CC(C)CCSc1cccnc1O 62a_100000210312_100000760158 [0,0,0,0,0,2|2,0,0]=4 7441 B13R1.158 CC(C)CCSc1cccnc1O 62a_100000760158_100000210312 [0,0,0,0,0,2|2,0,0]=4 7442 B13R1.158 CC(C)CCSc1ncc[nH]c1=O 62a_100000210312_100000763361 [0,0,0,0,0,2|1,0,1]=4 7443 B13R1.158 CC(C)CCSc1ncccc1Br 62a_100000210312_100000696092 [0,0,0,0,0,2|2,0,0]=4 7444 B13R1.158 CC(C)CCSc1ncccc1Br 62a_100000696092_100000210312 [0,0,0,0,0,2|2,0,0]=4 7445 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100000210312_100011356963 [0,0,0,0,0,2|2,0,0]=4 7446 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100011356963_100000210312 [0,0,0,0,0,2|2,0,0]=4 7447 B13R1.158 CC(C)CCSc1ncccc1F 62a_100000210312_100000685392 [0,0,0,0,0,2|2,0,0]=4 7448 B13R1.158 CC(C)CCSc1ncccc1F 62a_100000685392_100000210312 [0,0,0,0,0,2|2,0,0]=4 7449 B13R1.158 CC(C)CCSc1ncccc1N 62a_100000210312_100000688686 [0,0,0,0,0,2|2,0,0]=4 7450 B13R1.158 CC(C)CCSc1ncccc1N 62a_100000688686_100000210312 [0,0,0,0,0,2|2,0,0]=4 7451 B13R1.158 CC(C)CCSc1ncccc1O 62a_100000034122_100000210312 [0,0,0,0,0,2|2,0,0]=4 7452 B13R1.158 CC(C)CCSc1ncccc1O 62a_100000210312_100000034122 [0,0,0,0,0,2|2,0,0]=4 7453 B13R1.158 CC(C)CCSc1nccnc1Cl 62a_100000210312_100010886584 [0,0,0,0,0,2|1,0,0]=3 7454 B13R1.158 CC(C)CCSc1nccnc1Cl 62a_100010886584_100000210312 [0,0,0,0,0,2|1,0,0]=3 7455 B13R1.158 CC(C)CCSc1nccnc1F 62a_100000210312_200010125657 [0,0,0,0,0,2|1,0,0]=3 7456 B13R1.158 CC(C)CCSc1nccnc1F 62a_200010125657_100000210312 [0,0,0,0,0,2|1,0,0]=3 7457 B13R1.158 CC(C)CCSc1nccnc1N 62a_100000210312_100000747729 [0,0,0,0,0,2|1,0,0]=3 7458 B13R1.158 CC(C)CCSc1nccnc1N 62a_100000747729_100000210312 [0,0,0,0,0,2|1,0,0]=3 7459 B13R1.158 CC(C)CNCc1cccnc1Br 2230a_100000210953_100010140945 [0,0,0,0,0,2|2,0,0]=4 7460 B13R1.158 CC(C)CNCc1cccnc1Br 2230a_100009818023_100000210760 [0,0,0,0,0,2|2,0,0]=4 7461 B13R1.158 CC(C)CNCc1cccnc1Br 270004a_100009818023_100000210432 [0,0,0,0,0,2|2,0,0]=4 7462 B13R1.158 CC(C)CNCc1cccnc1Br 34a_100000210953_100010140945 [0,0,0,0,0,2|2,0,0]=4 7463 B13R1.158 CC(C)CNCc1cccnc1Br 34a_100009818023_100000210624 [0,0,0,0,0,2|2,0,0]=4 7464 B13R1.158 CC(C)CNCc1cccnc1Cl 2230a_100000210953_100000045678 [0,0,0,0,0,2|2,0,0]=4 7465 B13R1.158 CC(C)CNCc1cccnc1Cl 2230a_100015189234_100000210760 [0,0,0,0,0,2|2,0,0]=4 7466 B13R1.158 CC(C)CNCc1cccnc1Cl 34a_100000210953_100000045678 [0,0,0,0,0,2|2,0,0]=4 7467 B13R1.158 CC(C)CNCc1cccnc1Cl 34a_100015189234_100000210624 [0,0,0,0,0,2|2,0,0]=4 7468 B13R1.158 CC(C)CNCc1cccnc1F 2230a_100000210953_100000099810 [0,0,0,0,0,2|2,0,0]=4 7469 B13R1.158 CC(C)CNCc1cccnc1F 270004a_100000724633_100000210432 [0,0,0,0,0,2|2,0,0]=4 7470 B13R1.158 CC(C)CNCc1cccnc1F 34a_100000210953_100000099810 [0,0,0,0,0,2|2,0,0]=4 7471 B13R1.158 CC(C)CNCc1cccnc1F 34a_100000724633_100000210624 [0,0,0,0,0,2|2,0,0]=4 7472 B13R1.158 CC(C)CNCc1cccnc1O 207a_100000210953_100011998315 [0,0,0,0,0,2|2,0,0]=4 7473 B13R1.158 CC(C)CNCc1cccnc1O 270004a_100000210953_100011998315 [0,0,0,0,0,2|2,0,0]=4 7474 B13R1.158 CC(C)CNCc1ncccc1Br 207a_100000210953_100011934733 [0,0,0,0,0,2|2,0,0]=4 7475 B13R1.158 CC(C)CNCc1ncccc1Br 2230a_100000210953_100025702911 [0,0,0,0,0,2|2,0,0]=4 7476 B13R1.158 CC(C)CNCc1ncccc1Br 270004a_100000210953_100011934733 [0,0,0,0,0,2|2,0,0]=4 7477 B13R1.158 CC(C)CNCc1ncccc1Br 270004a_100020591323_100000210432 [0,0,0,0,0,2|2,0,0]=4 7478 B13R1.158 CC(C)CNCc1ncccc1Br 34a_100000210953_100025702911 [0,0,0,0,0,2|2,0,0]=4 7479 B13R1.158 CC(C)CNCc1ncccc1Cl 207a_100000210953_100012001307 [0,0,0,0,0,2|2,0,0]=4 7480 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100000210953_100000099807 [0,0,0,0,0,2|2,0,0]=4 7481 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100015189233_100000210760 [0,0,0,0,0,2|2,0,0]=4 7482 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100000210953_100012001307 [0,0,0,0,0,2|2,0,0]=4 7483 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100015189233_100000210432 [0,0,0,0,0,2|2,0,0]=4 7484 B13R1.158 CC(C)CNCc1ncccc1F 207a_100000210953_100011934734 [0,0,0,0,0,2|2,0,0]=4 7485 B13R1.158 CC(C)CNCc1ncccc1F 2230a_100000210953_100000104219 [0,0,0,0,0,2|2,0,0]=4 7486 B13R1.158 CC(C)CNCc1ncccc1F 270004a_100000210953_100011934734 [0,0,0,0,0,2|2,0,0]=4 7487 B13R1.158 CC(C)CNCc1ncccc1F 270004a_100000690088_100000210432 [0,0,0,0,0,2|2,0,0]=4 7488 B13R1.158 CC(C)CNCc1ncccc1F 34a_100000210953_100000104219 [0,0,0,0,0,2|2,0,0]=4 7489 B13R1.158 CC(C)CNCc1ncccc1F 34a_100000690088_100000210624 [0,0,0,0,0,2|2,0,0]=4 7490 B13R1.158 CC(C)CNCc1ncccc1O 34a_100000210953_200020655725 [0,0,0,0,0,2|2,0,0]=4 7491 B13R1.158 CC(C)CNCc1nccnc1Cl 2230a_100000729963_100000210760 [0,0,0,0,0,2|1,0,0]=3 7492 B13R1.158 CC(C)COCc1cccnc1Br 34a_100000210257_100010140945 [0,0,0,0,0,2|2,0,0]=4 7493 B13R1.158 CC(C)COCc1cccnc1Br 34a_100000719692_100000210624 [0,0,0,0,0,2|2,0,0]=4 7494 B13R1.158 CC(C)COCc1cccnc1Br 7a_100000719692_100000210760 [0,0,0,0,0,2|2,0,0]=4 7495 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000210257_100000045678 [0,0,0,0,0,2|2,0,0]=4 7496 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000748726_100000210624 [0,0,0,0,0,2|2,0,0]=4 7497 B13R1.158 CC(C)COCc1cccnc1Cl 7a_100000748726_100000210760 [0,0,0,0,0,2|2,0,0]=4 7498 B13R1.158 CC(C)COCc1cccnc1F 34a_100000079888_100000210624 [0,0,0,0,0,2|2,0,0]=4 7499 B13R1.158 CC(C)COCc1cccnc1F 34a_100000210257_100000099810 [0,0,0,0,0,2|2,0,0]=4 7500 B13R1.158 CC(C)COCc1cccnc1F 7a_100000079888_100000210760 [0,0,0,0,0,2|2,0,0]=4 7501 B13R1.158 CC(C)COCc1ncccc1Br 34a_100000210257_100025702911 [0,0,0,0,0,2|2,0,0]=4 7502 B13R1.158 CC(C)COCc1ncccc1Br 34a_100011996772_100000210624 [0,0,0,0,0,2|2,0,0]=4 7503 B13R1.158 CC(C)COCc1ncccc1Cl 34a_100012002383_100000210624 [0,0,0,0,0,2|2,0,0]=4 7504 B13R1.158 CC(C)COCc1ncccc1F 34a_100000210257_100000104219 [0,0,0,0,0,2|2,0,0]=4 7505 B13R1.158 CC(C)COCc1ncccc1F 34a_100011934865_100000210624 [0,0,0,0,0,2|2,0,0]=4 7506 B13R1.158 CC(C)COCc1ncccc1N 34a_114873767017_100000210624 [0,0,0,0,0,2|2,0,0]=4 7507 B13R1.158 CC(C)COCc1ncccc1O 34a_100000210257_200020655725 [0,0,0,0,0,2|2,0,0]=4 7508 B13R1.158 CC(C)COCc1nccnc1Cl 34a_100000057004_100000210624 [0,0,0,0,0,2|1,0,0]=3 7509 B13R1.158 CC(C)CSCc1cccnc1Br 62a_100000210624_100010140945 [0,0,0,0,0,2|2,0,0]=4 7510 B13R1.158 CC(C)CSCc1cccnc1Br 62a_100010140945_100000210760 [0,0,0,0,0,2|2,0,0]=4 7511 B13R1.158 CC(C)CSCc1cccnc1Cl 62a_100000045678_100000210760 [0,0,0,0,0,2|2,0,0]=4 7512 B13R1.158 CC(C)CSCc1cccnc1Cl 62a_100000210624_100000045678 [0,0,0,0,0,2|2,0,0]=4 7513 B13R1.158 CC(C)CSCc1cccnc1F 62a_100000099810_100000210760 [0,0,0,0,0,2|2,0,0]=4 7514 B13R1.158 CC(C)CSCc1cccnc1F 62a_100000210624_100000099810 [0,0,0,0,0,2|2,0,0]=4 7515 B13R1.158 CC(C)CSCc1ncccc1Br 62a_100000210624_100025702911 [0,0,0,0,0,2|2,0,0]=4 7516 B13R1.158 CC(C)CSCc1ncccc1Br 62a_100025702911_100000210760 [0,0,0,0,0,2|2,0,0]=4 7517 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000099807_100000210760 [0,0,0,0,0,2|2,0,0]=4 7518 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000210624_100000099807 [0,0,0,0,0,2|2,0,0]=4 7519 B13R1.158 CC(C)CSCc1ncccc1F 62a_100000104219_100000210760 [0,0,0,0,0,2|2,0,0]=4 7520 B13R1.158 CC(C)CSCc1ncccc1F 62a_100000210624_100000104219 [0,0,0,0,0,2|2,0,0]=4 7521 B13R1.158 CC(C)CSCc1ncccc1O 62a_100000210624_200020655725 [0,0,0,0,0,2|2,0,0]=4 7522 B13R1.158 CC(C)CSCc1ncccc1O 62a_200020655725_100000210760 [0,0,0,0,0,2|2,0,0]=4 7523 B13R1.158 CC(C)NN=Cc1nccnc1Cl 4a_100000741168_100000051000 [0,0,0,0,0,2|1,0,1]=4 7524 B13R1.158 CC(C)OCOc1cccnc1Br 34a_100000744436_100000709892 [0,0,0,0,0,2|2,0,0]=4 7525 B13R1.158 CC(C)OCOc1cccnc1Cl 34a_100000757616_100000709892 [0,0,0,0,0,2|2,0,0]=4 7526 B13R1.158 CC(C)OCOc1cccnc1F 34a_100000061740_100000709892 [0,0,0,0,0,2|2,0,0]=4 7527 B13R1.158 CC(C)OCOc1cccnc1I 34a_100000034122_100000709892 [0,0,0,0,0,2|2,0,0]=4 7528 B13R1.158 CC(C)OCOc1cccnc1N 34a_100000211975_100000709892 [0,0,0,0,0,2|2,0,0]=4 7529 B13R1.158 CC(C)OCOc1ncccc1Cl 34a_100011290957_100000709892 [0,0,0,0,0,2|2,0,0]=4 7530 B13R1.158 CC(C)OCOc1ncccc1F 34a_100011219419_100000709892 [0,0,0,0,0,2|2,0,0]=4 7531 B13R1.158 CC(C)OCOc1ncccc1N 34a_100000746358_100000709892 [0,0,0,0,0,2|2,0,0]=4 7532 B13R1.158 CC(C)OCSc1cccnc1Br 62a_100000709892_100010202626 [0,0,0,0,0,2|2,0,0]=4 7533 B13R1.158 CC(C)OCSc1cccnc1Br 62a_100010202626_100000709892 [0,0,0,0,0,2|2,0,0]=4 7534 B13R1.158 CC(C)OCSc1cccnc1Cl 62a_100000036424_100000709892 [0,0,0,0,0,2|2,0,0]=4 7535 B13R1.158 CC(C)OCSc1cccnc1Cl 62a_100000709892_100000036424 [0,0,0,0,0,2|2,0,0]=4 7536 B13R1.158 CC(C)OCSc1cccnc1F 62a_100000709892_100009816115 [0,0,0,0,0,2|2,0,0]=4 7537 B13R1.158 CC(C)OCSc1cccnc1F 62a_100009816115_100000709892 [0,0,0,0,0,2|2,0,0]=4 7538 B13R1.158 CC(C)OCSc1cccnc1N 62a_100000045569_100000709892 [0,0,0,0,0,2|2,0,0]=4 7539 B13R1.158 CC(C)OCSc1cccnc1N 62a_100000709892_100000045569 [0,0,0,0,0,2|2,0,0]=4 7540 B13R1.158 CC(C)OCSc1cccnc1O 62a_100000709892_100000760158 [0,0,0,0,0,2|2,0,0]=4 7541 B13R1.158 CC(C)OCSc1cccnc1O 62a_100000760158_100000709892 [0,0,0,0,0,2|2,0,0]=4 7542 B13R1.158 CC(C)OCSc1ncc[nH]c1=O 62a_100000709892_100000763361 [0,0,0,0,0,2|1,0,1]=4 7543 B13R1.158 CC(C)OCSc1ncccc1Br 62a_100000696092_100000709892 [0,0,0,0,0,2|2,0,0]=4 7544 B13R1.158 CC(C)OCSc1ncccc1Br 62a_100000709892_100000696092 [0,0,0,0,0,2|2,0,0]=4 7545 B13R1.158 CC(C)OCSc1ncccc1Cl 62a_100000709892_100011356963 [0,0,0,0,0,2|2,0,0]=4 7546 B13R1.158 CC(C)OCSc1ncccc1Cl 62a_100011356963_100000709892 [0,0,0,0,0,2|2,0,0]=4 7547 B13R1.158 CC(C)OCSc1ncccc1F 62a_100000685392_100000709892 [0,0,0,0,0,2|2,0,0]=4 7548 B13R1.158 CC(C)OCSc1ncccc1F 62a_100000709892_100000685392 [0,0,0,0,0,2|2,0,0]=4 7549 B13R1.158 CC(C)OCSc1ncccc1N 62a_100000688686_100000709892 [0,0,0,0,0,2|2,0,0]=4 7550 B13R1.158 CC(C)OCSc1ncccc1N 62a_100000709892_100000688686 [0,0,0,0,0,2|2,0,0]=4 7551 B13R1.158 CC(C)OCSc1ncccc1O 62a_100000034122_100000709892 [0,0,0,0,0,2|2,0,0]=4 7552 B13R1.158 CC(C)OCSc1ncccc1O 62a_100000709892_100000034122 [0,0,0,0,0,2|2,0,0]=4 7553 B13R1.158 CC(C)OCSc1nccnc1Cl 62a_100000709892_100010886584 [0,0,0,0,0,2|1,0,0]=3 7554 B13R1.158 CC(C)OCSc1nccnc1Cl 62a_100010886584_100000709892 [0,0,0,0,0,2|1,0,0]=3 7555 B13R1.158 CC(C)OCSc1nccnc1F 62a_100000709892_200010125657 [0,0,0,0,0,2|1,0,0]=3 7556 B13R1.158 CC(C)OCSc1nccnc1F 62a_200010125657_100000709892 [0,0,0,0,0,2|1,0,0]=3 7557 B13R1.158 CC(C)OCSc1nccnc1N 62a_100000709892_100000747729 [0,0,0,0,0,2|1,0,0]=3 7558 B13R1.158 CC(C)OCSc1nccnc1N 62a_100000747729_100000709892 [0,0,0,0,0,2|1,0,0]=3 7559 B13R1.158 CC(O)CCNc1nccnc1F 27a_200000755665_200010125657 [0,0,0,0,0,2|2,0,0]=4 7560 B13R1.158 CC(O)CCSc1nccnc1Cl 62a_100010886584_100012276601 [0,0,0,0,0,2|2,0,0]=4 7561 B13R1.158 CC(O)CCSc1nccnc1Cl 62a_100012276601_100010886584 [0,0,0,0,0,2|2,0,0]=4 7562 B13R1.158 CC(O)CCSc1nccnc1F 62a_100012276601_200010125657 [0,0,0,0,0,2|2,0,0]=4 7563 B13R1.158 CC(O)CCSc1nccnc1F 62a_200010125657_100012276601 [0,0,0,0,0,2|2,0,0]=4 7564 B13R1.158 CC(O)CCSc1nccnc1N 62a_100000747729_100012276601 [0,0,0,0,0,2|2,0,0]=4 7565 B13R1.158 CC(O)CCSc1nccnc1N 62a_100012276601_100000747729 [0,0,0,0,0,2|2,0,0]=4 7566 B13R1.158 CC(O)CNCc1nccnc1Cl 2230a_100000729963_100011218427 [0,0,0,0,0,2|2,0,0]=4 7567 B13R1.158 CC(O)COCc1nccnc1Cl 34a_100000057004_100011218427 [0,0,0,0,0,2|2,0,0]=4 7568 B13R1.158 CN(C)CCNc1nccnc1F 27a_100000210585_200010125657 [0,0,0,0,0,2|2,0,0]=4 7569 B13R1.158 CN(C)CCSc1nccnc1Cl 62a_100010886584_100000755713 [0,0,0,0,0,2|2,0,0]=4 7570 B13R1.158 CN(C)CCSc1nccnc1F 62a_200010125657_100000755713 [0,0,0,0,0,2|2,0,0]=4 7571 B13R1.158 CN(C)CCSc1nccnc1N 62a_100000747729_100000755713 [0,0,0,0,0,2|2,0,0]=4 7572 B13R1.158 C[C@@H](O)CNCc1nccnc1Cl 2230a_100000729963_100009817552 [0,0,0,0,0,2|2,0,0]=4 7573 B13R1.158 C[C@@H](O)COCc1nccnc1Cl 34a_100000057004_100009817552 [0,0,0,0,0,2|2,0,0]=4 7574 B13R1.158 Cc1ccccc1C=CCC(C)C 271570a_100016259101_100000210755 [0,0,0,0,0,2|2,0,0]=4 7575 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [0,0,0,0,0,2|2,0,0]=4 7576 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [0,0,0,0,0,2|2,0,0]=4 7577 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [0,0,0,0,0,2|2,0,0]=4 7578 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [0,0,0,0,0,2|2,0,0]=4 7579 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100000212225_100011713688 [0,0,0,0,0,2|2,0,0]=4 7580 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100011220023_100000210206 [0,0,0,0,0,2|2,0,0]=4 7581 B13R1.158 Cc1ccccc1CCOC(C)C 7a_100011220023_100000210206 [0,0,0,0,0,2|2,0,0]=4 7582 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100000210206_100011713688 [0,0,0,0,0,2|2,0,0]=4 7583 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100011713688_100000210206 [0,0,0,0,0,2|2,0,0]=4 7584 B13R1.158 Cc1ccccc1CNCC(C)C 207a_100000210953_100000211143 [0,0,0,0,0,2|2,0,0]=4 7585 B13R1.158 Cc1ccccc1CNCC(C)C 2230a_100000210953_100000211839 [0,0,0,0,0,2|2,0,0]=4 7586 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000174972_100000210432 [0,0,0,0,0,2|2,0,0]=4 7587 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000210953_100000211143 [0,0,0,0,0,2|2,0,0]=4 7588 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000174972_100000210624 [0,0,0,0,0,2|2,0,0]=4 7589 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000210953_100000211839 [0,0,0,0,0,2|2,0,0]=4 7590 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000210257_100000211839 [0,0,0,0,0,2|2,0,0]=4 7591 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000698903_100000210624 [0,0,0,0,0,2|2,0,0]=4 7592 B13R1.158 Cc1ccccc1COCC(C)C 7a_100000698903_100000210760 [0,0,0,0,0,2|2,0,0]=4 7593 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000210624_100000211839 [0,0,0,0,0,2|2,0,0]=4 7594 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000211839_100000210760 [0,0,0,0,0,2|2,0,0]=4 7595 B13R1.158 Cc1ccccc1NCCC(C)C 34a_100015192222_100000210312 [0,0,0,0,0,2|2,0,0]=4 7596 B13R1.158 Cc1ccccc1NCOC(C)C 34a_100015192222_100000709892 [0,0,0,0,0,2|2,0,0]=4 7597 B13R1.158 Cc1ccccc1OCCC(C)C 34a_100000210338_100000210312 [0,0,0,0,0,2|2,0,0]=4 7598 B13R1.158 Cc1ccccc1OCCC(C)C 7a_100000210338_100000210626 [0,0,0,0,0,2|2,0,0]=4 7599 B13R1.158 Cc1ccccc1OCOC(C)C 34a_100000210338_100000709892 [0,0,0,0,0,2|2,0,0]=4 7600 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210312_100000210755 [0,0,0,0,0,2|2,0,0]=4 7601 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210755_100000210312 [0,0,0,0,0,2|2,0,0]=4 7602 B13R1.158 Cc1ccccc1SCOC(C)C 62a_100000210755_100000709892 [0,0,0,0,0,2|2,0,0]=4 7603 B13R1.158 Cc1ccccc1SCOC(C)C 62a_100000709892_100000210755 [0,0,0,0,0,2|2,0,0]=4 7604 B13R1.158 Cc1cccnc1C=CCC(C)C 271570a_100016259101_100000751373 [0,0,0,0,0,2|1,0,0]=3 7605 B13R1.158 Cc1cccnc1C=NNC(C)C 4a_100000741168_100000698913 [0,0,0,0,0,2|1,0,1]=4 7606 B13R1.158 Cc1cccnc1CCOC(C)C 34a_100011997706_100000210206 [0,0,0,0,0,2|1,0,0]=3 7607 B13R1.158 Cc1cccnc1CCOC(C)C 7a_100011997706_100000210206 [0,0,0,0,0,2|1,0,0]=3 7608 B13R1.158 Cc1cccnc1CNCC(C)C 207a_100000210953_100000698913 [0,0,0,0,0,2|1,0,0]=3 7609 B13R1.158 Cc1cccnc1CNCC(C)C 2230a_100000210953_100000696600 [0,0,0,0,0,2|1,0,0]=3 7610 B13R1.158 Cc1cccnc1CNCC(C)C 270004a_100000210953_100000698913 [0,0,0,0,0,2|1,0,0]=3 7611 B13R1.158 Cc1cccnc1CNCC(C)C 34a_100000210953_100000696600 [0,0,0,0,0,2|1,0,0]=3 7612 B13R1.158 Cc1cccnc1CNCC(C)C 34a_100011223789_100000210624 [0,0,0,0,0,2|1,0,0]=3 7613 B13R1.158 Cc1cccnc1CNCC(C)O 207a_100000210904_100000698913 [0,0,0,0,0,2|2,0,0]=4 7614 B13R1.158 Cc1cccnc1CNCC(C)O 2230a_100000210904_100000696600 [0,0,0,0,0,2|2,0,0]=4 7615 B13R1.158 Cc1cccnc1CNCC(C)O 270004a_100000210904_100000698913 [0,0,0,0,0,2|2,0,0]=4 7616 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100000210904_100000696600 [0,0,0,0,0,2|2,0,0]=4 7617 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100011223789_100011218427 [0,0,0,0,0,2|2,0,0]=4 7618 B13R1.158 Cc1cccnc1CNC[C@@H](C)O 34a_100011223789_100009817552 [0,0,0,0,0,2|2,0,0]=4 7619 B13R1.158 Cc1cccnc1COCC(C)Br 34a_100012180447_100000696600 [0,0,0,0,0,2|2,0,0]=4 7620 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000210257_100000696600 [0,0,0,0,0,2|1,0,0]=3 7621 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000698912_100000210624 [0,0,0,0,0,2|1,0,0]=3 7622 B13R1.158 Cc1cccnc1COCC(C)F 34a_100015925927_100000696600 [0,0,0,0,0,2|2,0,0]=4 7623 B13R1.158 Cc1cccnc1COCC(C)O 34a_100000698912_100011218427 [0,0,0,0,0,2|2,0,0]=4 7624 B13R1.158 Cc1cccnc1COC[C@@H](C)Cl 34a_100016084084_100000696600 [0,0,0,0,0,2|2,0,0]=4 7625 B13R1.158 Cc1cccnc1COC[C@@H](C)N 34a_100000737577_100000696600 [0,0,0,0,0,2|2,0,0]=4 7626 B13R1.158 Cc1cccnc1COC[C@@H](C)O 34a_100000698912_100009817552 [0,0,0,0,0,2|2,0,0]=4 7627 B13R1.158 Cc1cccnc1CSCC(C)C 62a_100000210624_100000696600 [0,0,0,0,0,2|1,0,0]=3 7628 B13R1.158 Cc1cccnc1CSCC(C)C 62a_100000696600_100000210760 [0,0,0,0,0,2|1,0,0]=3 7629 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100000696600_100011218427 [0,0,0,0,0,2|2,0,0]=4 7630 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100011218427_100000696600 [0,0,0,0,0,2|2,0,0]=4 7631 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100000696600_100009817552 [0,0,0,0,0,2|2,0,0]=4 7632 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100009817552_100000696600 [0,0,0,0,0,2|2,0,0]=4 7633 B13R1.158 Cc1cccnc1NN=CC(C)C 4a_100000708268_100000210432 [0,0,0,0,0,2|1,0,1]=4 7634 B13R1.158 Cc1cccnc1SCCC(C)C 62a_100000210312_100000751373 [0,0,0,0,0,2|1,0,0]=3 7635 B13R1.158 Cc1cccnc1SCCC(C)C 62a_100000751373_100000210312 [0,0,0,0,0,2|1,0,0]=3 7636 B13R1.158 Cc1cccnc1SCCC(C)O 62a_100000751373_100012276601 [0,0,0,0,0,2|2,0,0]=4 7637 B13R1.158 Cc1cccnc1SCCC(C)O 62a_100012276601_100000751373 [0,0,0,0,0,2|2,0,0]=4 7638 B13R1.158 Cc1cccnc1SCCN(C)C 62a_100000751373_100000755713 [0,0,0,0,0,2|2,0,0]=4 7639 B13R1.158 Cc1cccnc1SCOC(C)C 62a_100000709892_100000751373 [0,0,0,0,0,2|1,0,0]=3 7640 B13R1.158 Cc1cccnc1SCOC(C)C 62a_100000751373_100000709892 [0,0,0,0,0,2|1,0,0]=3 7641 B13R1.158 Cc1ccnnc1C=CCC(C)C 271570a_100016259101_100000089043 [0,0,0,0,0,2|2,0,0]=4 7642 B13R1.158 Cc1ccnnc1NCCC(C)C 27a_100000210545_100000089043 [0,0,0,0,0,2|2,0,0]=4 7643 B13R1.158 Cc1ccnnc1SCCC(C)C 62a_100000210312_100000089043 [0,0,0,0,0,2|2,0,0]=4 7644 B13R1.158 Cc1ccnnc1SCOC(C)C 62a_100000709892_100000089043 [0,0,0,0,0,2|2,0,0]=4 7645 B13R1.158 Cc1cncnc1C=CCC(C)C 271570a_100016259101_100011998708 [0,0,0,0,0,2|2,0,0]=4 7646 B13R1.158 Cc1cncnc1NCCC(C)C 27a_100000210545_100011998708 [0,0,0,0,0,2|2,0,0]=4 7647 B13R1.158 Cc1cncnc1SCCC(C)C 62a_100000210312_100011998708 [0,0,0,0,0,2|2,0,0]=4 7648 B13R1.158 Cc1cncnc1SCCC(C)C 62a_100011998708_100000210312 [0,0,0,0,0,2|2,0,0]=4 7649 B13R1.158 Cc1cncnc1SCOC(C)C 62a_100000709892_100011998708 [0,0,0,0,0,2|2,0,0]=4 7650 B13R1.158 Cc1cncnc1SCOC(C)C 62a_100011998708_100000709892 [0,0,0,0,0,2|2,0,0]=4 7651 B13R1.158 Cc1ncccc1C=CCC(C)C 271570a_100016259101_100000751574 [0,0,0,0,0,2|1,0,0]=3 7652 B13R1.158 Cc1ncccc1C=NNC(C)C 4a_100000741168_100000751968 [0,0,0,0,0,2|1,0,1]=4 7653 B13R1.158 Cc1ncccc1CNCC(C)C 207a_100000210953_100000751968 [0,0,0,0,0,2|1,0,0]=3 7654 B13R1.158 Cc1ncccc1CNCC(C)C 2230a_100000210953_100000732876 [0,0,0,0,0,2|1,0,0]=3 7655 B13R1.158 Cc1ncccc1CNCC(C)C 270004a_100000210953_100000751968 [0,0,0,0,0,2|1,0,0]=3 7656 B13R1.158 Cc1ncccc1CNCC(C)C 34a_100000210953_100000732876 [0,0,0,0,0,2|1,0,0]=3 7657 B13R1.158 Cc1ncccc1CNCC(C)O 207a_100000210904_100000751968 [0,0,0,0,0,2|2,0,0]=4 7658 B13R1.158 Cc1ncccc1CNCC(C)O 2230a_100000210904_100000732876 [0,0,0,0,0,2|2,0,0]=4 7659 B13R1.158 Cc1ncccc1CNCC(C)O 270004a_100000210904_100000751968 [0,0,0,0,0,2|2,0,0]=4 7660 B13R1.158 Cc1ncccc1CNCC(C)O 34a_100000210904_100000732876 [0,0,0,0,0,2|2,0,0]=4 7661 B13R1.158 Cc1ncccc1COCC(C)Br 34a_100012180447_100000732876 [0,0,0,0,0,2|2,0,0]=4 7662 B13R1.158 Cc1ncccc1COCC(C)C 34a_100000210257_100000732876 [0,0,0,0,0,2|1,0,0]=3 7663 B13R1.158 Cc1ncccc1COCC(C)C 34a_100000729262_100000210624 [0,0,0,0,0,2|1,0,0]=3 7664 B13R1.158 Cc1ncccc1COCC(C)C 7a_100000729262_100000210760 [0,0,0,0,0,2|1,0,0]=3 7665 B13R1.158 Cc1ncccc1COCC(C)F 34a_100015925927_100000732876 [0,0,0,0,0,2|2,0,0]=4 7666 B13R1.158 Cc1ncccc1COCC(C)O 34a_100000729262_100011218427 [0,0,0,0,0,2|2,0,0]=4 7667 B13R1.158 Cc1ncccc1COCC(C)O 7a_100000729262_100011218427 [0,0,0,0,0,2|2,0,0]=4 7668 B13R1.158 Cc1ncccc1COC[C@@H](C)Cl 34a_100016084084_100000732876 [0,0,0,0,0,2|2,0,0]=4 7669 B13R1.158 Cc1ncccc1COC[C@@H](C)N 34a_100000737577_100000732876 [0,0,0,0,0,2|2,0,0]=4 7670 B13R1.158 Cc1ncccc1COC[C@@H](C)O 34a_100000729262_100009817552 [0,0,0,0,0,2|2,0,0]=4 7671 B13R1.158 Cc1ncccc1COC[C@@H](C)O 7a_100000729262_100009817552 [0,0,0,0,0,2|2,0,0]=4 7672 B13R1.158 Cc1ncccc1CSCC(C)C 62a_100000210624_100000732876 [0,0,0,0,0,2|1,0,0]=3 7673 B13R1.158 Cc1ncccc1CSCC(C)C 62a_100000732876_100000210760 [0,0,0,0,0,2|1,0,0]=3 7674 B13R1.158 Cc1ncccc1CSCC(C)O 62a_100000732876_100011218427 [0,0,0,0,0,2|2,0,0]=4 7675 B13R1.158 Cc1ncccc1CSCC(C)O 62a_100011218427_100000732876 [0,0,0,0,0,2|2,0,0]=4 7676 B13R1.158 Cc1ncccc1CSC[C@@H](C)O 62a_100000732876_100009817552 [0,0,0,0,0,2|2,0,0]=4 7677 B13R1.158 Cc1ncccc1CSC[C@@H](C)O 62a_100009817552_100000732876 [0,0,0,0,0,2|2,0,0]=4 7678 B13R1.158 Cc1ncccc1NN=CC(C)C 4a_100000730703_100000210432 [0,0,0,0,0,2|1,0,1]=4 7679 B13R1.158 Cc1ncccc1OCCC(C)C 34a_100000745507_100000210312 [0,0,0,0,0,2|1,0,0]=3 7680 B13R1.158 Cc1ncccc1OCCC(C)C 7a_100000745507_100000210626 [0,0,0,0,0,2|1,0,0]=3 7681 B13R1.158 Cc1ncccc1OCCC(C)O 34a_100000745507_100012276601 [0,0,0,0,0,2|2,0,0]=4 7682 B13R1.158 Cc1ncccc1OCCC(C)O 7a_100000745507_100012276601 [0,0,0,0,0,2|2,0,0]=4 7683 B13R1.158 Cc1ncccc1OCCN(C)C 7a_100000745507_100000755713 [0,0,0,0,0,2|2,0,0]=4 7684 B13R1.158 Cc1ncccc1OCOC(C)C 34a_100000745507_100000709892 [0,0,0,0,0,2|1,0,0]=3 7685 B13R1.158 Cc1ncccc1SCCC(C)C 62a_100000210312_100000751574 [0,0,0,0,0,2|1,0,0]=3 7686 B13R1.158 Cc1ncccc1SCCC(C)C 62a_100000751574_100000210312 [0,0,0,0,0,2|1,0,0]=3 7687 B13R1.158 Cc1ncccc1SCCC(C)O 62a_100000751574_100012276601 [0,0,0,0,0,2|2,0,0]=4 7688 B13R1.158 Cc1ncccc1SCCC(C)O 62a_100012276601_100000751574 [0,0,0,0,0,2|2,0,0]=4 7689 B13R1.158 Cc1ncccc1SCCN(C)C 62a_100000751574_100000755713 [0,0,0,0,0,2|2,0,0]=4 7690 B13R1.158 Cc1ncccc1SCOC(C)C 62a_100000709892_100000751574 [0,0,0,0,0,2|1,0,0]=3 7691 B13R1.158 Cc1ncccc1SCOC(C)C 62a_100000751574_100000709892 [0,0,0,0,0,2|1,0,0]=3 7692 B13R1.158 Cc1nccnc1C=CCC(C)C 271570a_100016259101_100011999405 [0,0,0,0,0,2|0,0,0]=2 7693 B13R1.158 Cc1nccnc1C=NNC(C)C 4a_100000741168_100000050726 [0,0,0,0,0,2|0,0,1]=3 7694 B13R1.158 Cc1nccnc1CNCC(C)C 2230a_100020641712_100000210760 [0,0,0,0,0,2|0,0,0]=2 7695 B13R1.158 Cc1nccnc1CNCC(C)C 270004a_100000210953_100000050726 [0,0,0,0,0,2|0,0,0]=2 7696 B13R1.158 Cc1nccnc1CNCC(C)C 270004a_100020641712_100000210432 [0,0,0,0,0,2|0,0,0]=2 7697 B13R1.158 Cc1nccnc1CNCC(C)C 34a_100020641712_100000210624 [0,0,0,0,0,2|0,0,0]=2 7698 B13R1.158 Cc1nccnc1CNCC(C)O 2230a_100020641712_100011218427 [0,0,0,0,0,2|1,0,0]=3 7699 B13R1.158 Cc1nccnc1CNCC(C)O 270004a_100000210904_100000050726 [0,0,0,0,0,2|1,0,0]=3 7700 B13R1.158 Cc1nccnc1CNCC(C)O 34a_100020641712_100011218427 [0,0,0,0,0,2|1,0,0]=3 7701 B13R1.158 Cc1nccnc1CNCC(F)F 2230a_100020641712_100011934356 [0,0,0,0,0,2|2,0,0]=4 7702 B13R1.158 Cc1nccnc1CNCC(F)F 270004a_100000765723_100000050726 [0,0,0,0,0,2|2,0,0]=4 7703 B13R1.158 Cc1nccnc1CNCC(F)F 34a_100020641712_100011934356 [0,0,0,0,0,2|2,0,0]=4 7704 B13R1.158 Cc1nccnc1CNC[C@@H](C)O 2230a_100020641712_100009817552 [0,0,0,0,0,2|1,0,0]=3 7705 B13R1.158 Cc1nccnc1CNC[C@@H](C)O 34a_100020641712_100009817552 [0,0,0,0,0,2|1,0,0]=3 7706 B13R1.158 Cc1nccnc1NCCC(C)C 27a_100000210545_100011999405 [0,0,0,0,0,2|0,0,0]=2 7707 B13R1.158 Cc1nccnc1NCCC(C)O 27a_200000755665_100011999405 [0,0,0,0,0,2|1,0,0]=3 7708 B13R1.158 Cc1nccnc1NCCN(C)C 27a_100000210585_100011999405 [0,0,0,0,0,2|1,0,0]=3 7709 B13R1.158 Cc1nccnc1OCCC(C)C 34a_100000766352_100000210312 [0,0,0,0,0,2|0,0,0]=2 7710 B13R1.158 Cc1nccnc1OCCC(C)O 34a_100000766352_100012276601 [0,0,0,0,0,2|1,0,0]=3 7711 B13R1.158 Cc1nccnc1OCOC(C)C 34a_100000766352_100000709892 [0,0,0,0,0,2|0,0,0]=2 7712 B13R1.158 Cc1nccnc1SCCC(C)C 62a_100000210312_100011999405 [0,0,0,0,0,2|0,0,0]=2 7713 B13R1.158 Cc1nccnc1SCCC(C)C 62a_100011999405_100000210312 [0,0,0,0,0,2|0,0,0]=2 7714 B13R1.158 Cc1nccnc1SCCC(C)O 62a_100011999405_100012276601 [0,0,0,0,0,2|1,0,0]=3 7715 B13R1.158 Cc1nccnc1SCCC(C)O 62a_100012276601_100011999405 [0,0,0,0,0,2|1,0,0]=3 7716 B13R1.158 Cc1nccnc1SCCN(C)C 62a_100011999405_100000755713 [0,0,0,0,0,2|1,0,0]=3 7717 B13R1.158 Cc1nccnc1SCOC(C)C 62a_100000709892_100011999405 [0,0,0,0,0,2|0,0,0]=2 7718 B13R1.158 Cc1nccnc1SCOC(C)C 62a_100011999405_100000709892 [0,0,0,0,0,2|0,0,0]=2 7719 B13R1.158 Cc1ncncc1C=CCC(C)C 271570a_100016259101_100009819671 [0,0,0,0,0,2|2,0,0]=4 7720 B13R1.158 Cc1ncncc1SCCC(C)C 62a_100000210312_100009819671 [0,0,0,0,0,2|2,0,0]=4 7721 B13R1.158 Cc1ncncc1SCCC(C)C 62a_100009819671_100000210312 [0,0,0,0,0,2|2,0,0]=4 7722 B13R1.158 Cc1ncncc1SCOC(C)C 62a_100000709892_100009819671 [0,0,0,0,0,2|2,0,0]=4 7723 B13R1.158 Cc1ncncc1SCOC(C)C 62a_100009819671_100000709892 [0,0,0,0,0,2|2,0,0]=4