0 B11R1.86 CC(=Cc1c[nH]ccc1=O)C 271570a_100102525489_100009998708 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.86 CC(=Cc1c[nH]ccc1=S)C 271570a_100102525489_200012280681 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.86 CC(=Cc1ccc[nH]c1=O)C 271570a_100102525489_100000050042 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.86 CC(=Cc1ccncc1Br)C 271570a_100102525489_100000726257 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.86 CC(=Cc1ccncc1Cl)C 271570a_100102525489_100000708259 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.86 CC(=Cc1ccncc1F)C 271570a_100102525489_100000047030 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.86 CC(=Cc1ccncc1N)C 271570a_100102525489_100009815883 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.86 CC(=Cc1cnccc1Br)C 271570a_100102525489_100010138639 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.86 CC(=Cc1cnccc1Cl)C 271570a_100102525489_100009995489 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.86 CC(=Cc1cnccc1F)C 271570a_100102525489_100009820683 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.86 CC(=Cc1cncnc1O)C 271570a_100102525489_100000751107 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,0,0|1,0,0]=1 45 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,0,0|1,0,0]=1 46 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,0,0,0,0,0|2,0,1]=3 63 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,0,0|1,0,0]=1 66 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,0,0|1,0,0]=1 67 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,0,0|1,0,0]=1 68 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,0,0|1,0,0]=1 69 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,0,0|1,0,0]=1 70 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,0,0|1,0,0]=1 71 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,0,0|1,0,0]=1 72 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,0,0|1,0,0]=1 73 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,0,0|1,0,0]=1 74 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,0,0|1,0,0]=1 75 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,0,0|1,0,0]=1 76 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,0,0|1,0,0]=1 77 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,0,0|1,0,0]=1 78 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,0,0|1,0,0]=1 79 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,0,0|1,0,0]=1 80 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,0,0|1,0,0]=1 81 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,0,0|0,0,0]=0 82 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,0,0|0,0,0]=0 83 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,0,0|0,0,0]=0 84 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,0,0,0,0,0|1,0,0]=1 85 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,0,0|1,0,0]=1 86 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,0,0,0,0,0|2,0,1]=3 88 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,0,0,0,0,0|2,0,1]=3 89 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,0,0,0,0,0|2,0,1]=3 90 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,0,0,0,0,0|2,0,1]=3 91 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,0,0,0,0,0|1,0,1]=2 92 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,0,0,0,0,0|1,0,1]=2 93 B11R1.86 CC(C)Nc1ccncc1Br 27a_100138425928_100000726257 [0,0,0,0,0,0|3,0,1]=4 94 B11R1.86 CC(C)Nc1ccncc1F 27a_100138425928_100000035921 [0,0,0,0,0,0|3,0,1]=4 95 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,0,0,0,0,0|3,0,1]=4 97 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,0,0,0,0,0|3,0,1]=4 98 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,0,0,0,0,0|3,0,1]=4 99 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,0,0,0,0,0|3,0,1]=4 100 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,0,0,0,0,0|3,0,1]=4 104 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,0,0,0,0,0|3,0,1]=4 105 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,0,0,0,0,0|2,0,1]=3 107 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,0,0,0,0,0|3,0,1]=4 116 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,0,0,0,0,0|2,0,1]=3 117 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,0,0,0,0,0|2,0,1]=3 118 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [0,0,0,0,0,0|3,0,1]=4 119 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [0,0,0,0,0,0|3,0,1]=4 120 B11R1.86 CC(C)Sc1ccncc1O 62a_100000210206_100009817591 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.86 CC(C)Sc1ccncc1O 62a_100009817591_100000210206 [0,0,0,0,0,0|3,0,1]=4 122 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [0,0,0,0,0,0|3,0,1]=4 123 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [0,0,0,0,0,0|3,0,1]=4 124 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,0,0,0,0,0|4,0,0]=4 148 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,0,0,0,0,0|4,0,0]=4 160 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,0,0,0,0,0|4,0,0]=4 161 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,0,0,0,0,0|2,0,1]=3 165 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,0,0,0,0,0|3,0,1]=4 167 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,0,0,0,0,0|3,0,1]=4 168 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,0,0,0,0,0|3,0,1]=4 169 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.86 Cc1cnccc1NC(C)C 27a_100138425928_100000765111 [0,0,0,0,0,0|3,0,1]=4 171 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,0,0,0,0,0|2,0,0]=2 172 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,0,0,0,0|1,0,0]=1 173 B11R1.86 Oc1ccccc1OC(F)F 271570a_203496583355_100000742724 [0,0,0,0,0,0|3,0,1]=4 174 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,0,0|2,0,0]=2 175 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,0,0|2,0,0]=2 176 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,0,0|2,0,0]=2 177 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,0,0|2,0,0]=2 178 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,0,0|1,0,0]=1 179 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,0,0,0,0|3,0,0]=3 181 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,0,0,0,0,0|2,0,1]=3 183 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,0,0,0,0,0|3,0,1]=4 184 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,0,0,0,0,0|3,0,1]=4 185 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,0,0,0,0,0|1,0,2]=4 186 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,0,0,0,0|1,0,1]=3 187 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,0,0,0,0,0|2,1,0]=4 189 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,0,0,0,0|1,0,0]=2 198 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.4 CC=Cc1cncnc1O 271570a_100016259895_100000751107 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,0,0,0,0,0|1,0,1]=3 222 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,0,0,0,0,0|1,0,1]=3 223 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,0,0,0,0,0|1,0,1]=3 224 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,0,0,0,0,0|1,0,1]=3 225 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,0,0,0,0,0|1,0,1]=3 226 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,0,0,0,0,0|0,0,1]=2 227 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,0,0,0,0,0|0,0,1]=2 228 B10R1.4 CCNc1ccncc1Br 27a_100015525214_100000726257 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.4 CCNc1ccncc1F 27a_100015525214_100000035921 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,0,0,0,0,0|1,0,1]=3 245 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,0,0,0,0,0|2,0,1]=4 248 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,0,0,0,0|2,0,1]=4 251 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,0,0,0,0,0|2,0,1]=4 252 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,0,0,0,0,0|2,0,1]=4 253 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,0,0,0,0,0|2,0,1]=4 254 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,0,0,0,0,0|2,0,1]=4 255 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,0,0,0,0,0|2,0,1]=4 256 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,0,0,0,0,0|2,0,1]=4 257 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,0,0,0,0,0|1,0,1]=3 258 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,0,0,0,0,0|1,0,1]=3 259 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,0,0,0,0,0|1,0,1]=3 260 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,0,0,0,0,0|2,0,1]=4 266 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,0,0,0,0,0|2,0,0]=3 335 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,0,0,0,0,0|2,0,1]=4 343 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,0,0,0,0,0|2,0,1]=4 344 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,0,0,0,0,0|2,0,1]=4 345 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,0,0,0,0,0|2,0,1]=4 346 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,0,0,0,0,0|2,0,1]=4 347 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,0,0,0,0,0|2,0,1]=4 348 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,0,0,0,0,0|2,0,1]=4 349 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,0,0,0,0,0|1,0,2]=4 351 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,0,0,0,0,0|1,0,1]=3 352 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,0,0,0,0,0|2,0,1]=4 353 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,0,0,0,0,0|2,0,1]=4 354 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,0,0,0,0,0|3,0,0]=4 378 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,0,0,0,0,0|2,0,1]=4 380 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,0]=2 386 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,0]=3 387 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,0]=3 388 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,0]=3 390 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,0]=3 392 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|0,0,0]=1 397 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|0,0,0]=1 398 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|0,0,0]=1 399 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|0,0,0]=1 400 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|1,0,1]=3 401 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|2,0,1]=4 402 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|2,0,1]=4 404 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,0]=3 413 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,0]=3 414 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,1,0,0,0,0|1,0,0]=2 417 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,1,0,0,0,0|1,0,0]=2 418 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,1,0,0,0,0|1,0,0]=2 419 B12R1.75 C#Cc1ccccc1NC(C)C 34a_100011470550_100000210206 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,1,0,0,0,0|1,0,0]=2 424 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,1,0,0,0,0|1,0,0]=2 425 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,1,0,0,0,0|1,0,0]=2 426 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.75 C=Cc1ccccc1NC(C)C 271570a_100011290941_100000219599 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.75 C=Cc1ccccc1NC(C)C 34a_100012022501_100000210206 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.75 C=Cc1cnccc1NC(=O)C 271570a_100011290941_100016132053 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.75 CC(=Cc1ccccc1C#N)C 271570a_100102525489_100000188569 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,1,0,0,0,0|2,0,1]=4 434 B12R1.75 CC(=Cc1ccccc1CN)C 271570a_100102525489_100000689332 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.75 CC(=Cc1ccccc1CO)C 271570a_100102525489_100000187465 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.75 CC(=Cc1ccccc1NN)C 271570a_100102525489_100000241748 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.75 CC(=Cc1cccnc1CO)C 271570a_100102525489_100011996772 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.75 CC(=Cc1ccncc1CO)C 271570a_100102525489_100000117392 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.75 CC(=Cc1cnccc1CO)C 271570a_100102525489_100009873359 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.75 CC(=Cc1ncccc1CO)C 271570a_100102525489_100000748726 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,1,0,0,0,0|1,0,1]=3 444 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,0,0,0,0|1,0,0]=2 445 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,1,0,0,0,0|1,1,0]=3 446 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,1,0,0,0,0|1,1,0]=3 447 B12R1.75 CC(=O)Cc1cccnc1C#N 1458a_100000070787_100011768898 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,1,0,0,0,0|1,0,0]=2 450 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,1,0,0,0,0|1,0,0]=2 451 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,0,0,0,0|0,0,0]=1 452 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,0,0|0,0,0]=1 454 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,0,0|0,0,0]=1 455 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,0,0,0,0|0,1,0]=2 456 B12R1.75 CC(=O)Nc1ccncc1S[13CH3] 62a_200025704644_100016132053 [0,1,0,0,0,0|1,1,0]=3 457 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,1,0,0,0,0|1,0,0]=2 458 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,1,0,0,0,0|1,0,0]=2 459 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,1,0,0,0,0|1,1,0]=3 460 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,1,0,0,0,0|1,1,0]=3 461 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,1,0,0,0,0|2,1,0]=4 462 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,1,0,0,0,0|2,1,0]=4 463 B12R1.75 CC(C)Nc1ccccc1C#N 34a_100000211148_100000210206 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.75 CC(C)Nc1ccccc1CO 34a_100000212039_100000210206 [0,1,0,0,0,0|1,0,1]=3 465 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,1,0,0,0,0|1,1,1]=4 466 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,1,0,0,0,0|1,1,1]=4 467 B12R1.75 CC(C)Nc1ccncc1CO 27a_100138425928_100000117392 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,1,0,0,0,0|2,0,1]=4 470 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,1,0,0,0,0|2,0,1]=4 471 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000187465_100000210206 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000210206_100000187465 [0,1,0,0,0,0|2,0,1]=4 473 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,0,0,0,0|1,0,0]=2 475 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,0,0,0,0|1,0,0]=2 476 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,0,0,0,0|1,0,0]=2 477 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100000044721_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100102631434_100009816955 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100000044721_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100102631434_100009816955 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.75 CN([13CH3])Cc1ccccc1CO 2230a_100000044721_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.75 CN([13CH3])Cc1ccccc1CO 269982a_100000044721_200025704644 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,0,0,0,0|1,0,0]=2 489 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,0,0|1,0,0]=2 491 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,0,0|1,0,0]=2 492 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,0,0|1,0,0]=2 493 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,0,0|0,0,0]=1 501 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,0,0|0,0,0]=1 502 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,0,0|0,0,0]=1 503 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,0,0|0,0,0]=1 504 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,0,0|0,0,0]=1 505 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,0,0|0,0,0]=1 506 B12R1.75 COc1ccccc1NC(=S)N 7a_200000011649_200000210301 [0,1,0,0,0,0|1,1,0]=3 507 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,1,0,0,0,0|1,0,1]=3 508 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,1,0,0,0,0|2,0,1]=4 509 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,1,0,0,0,0|2,0,1]=4 510 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,1,0,0,0,0|2,0,1]=4 511 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,1,0,0,0,0|2,0,1]=4 512 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,1,0,0,0,0|2,0,1]=4 513 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,1,0,0,0,0|1,0,0]=2 515 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,1,0,0,0,0|1,0,0]=2 516 B12R1.75 COc1ccncc1C=C(C)C 271570a_100102525489_100011997281 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.75 COc1cnccc1C=C(C)C 271570a_100102525489_100016988167 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,1,0,0,0,0|2,0,0]=3 521 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,1,0,0,0,0|2,1,0]=4 522 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,1,0,0,0,0|1,1,0]=3 523 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,1,0,0,0,0|1,1,0]=3 524 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,1,0,0,0,0|1,1,0]=3 525 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,1,0,0,0,0|2,1,0]=4 526 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,1,0,0,0,0|2,1,0]=4 527 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,0,0,0,0|0,1,0]=2 528 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,0,0,0,0|0,1,0]=2 529 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,0,0,0,0|0,1,0]=2 530 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,1,0,0,0,0|1,1,0]=3 531 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,1,0,0,0,0|1,1,1]=4 532 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,1,0,0,0,0|1,1,1]=4 533 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,1,0,0,0,0|1,1,1]=4 534 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,1,0,0,0,0|1,1,0]=3 535 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,1,0,0,0,0|1,1,0]=3 536 B12R1.75 CSc1cnccc1NC(=O)C 62a_200000210301_100016132053 [0,1,0,0,0,0|1,1,0]=3 537 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,1,0,0,0,0|2,1,0]=4 538 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,1,0,0,0,0|2,1,0]=4 539 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.75 [13CH3]Oc1ccccc1NC(=S)N 7a_200000011649_200025704644 [0,1,0,0,0,0|1,1,0]=3 541 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,1,0,0,0,0|2,1,0]=4 542 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,1,0,0,0,0|2,1,0]=4 543 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,1,0,0,0,0|1,1,0]=3 544 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.124 CC(=C(C)c1ccncc1O)C 271570a_200000049429_100009817591 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.124 CC(=C(C)c1ncccc1O)C 271570a_200000049429_100000034122 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,0,0,0,0|1,0,0]=2 560 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,0,0,0,0|1,0,0]=2 561 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,0,0|1,0,0]=2 562 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,0,0|1,0,0]=2 563 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,0,0|1,0,0]=2 564 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,0,0,0,0|1,0,0]=2 565 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,0,0,0,0|1,0,0]=2 566 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,0,0,0,0|1,0,0]=2 567 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,0,0,0,0|1,0,0]=2 568 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,0,0,0,0|1,0,0]=2 569 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,0,0|0,0,0]=1 570 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,0,0|0,0,0]=1 571 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.124 CC(C)N(C)c1ccccc1Br 2230a_100020606079_100000210206 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100000219599_200000210301 [0,1,0,0,0,0|2,0,1]=4 576 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100020606079_100000210206 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100000219599_200000210301 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100020606079_100000210206 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.124 CC(C)N(C)c1ccccc1Br 7a_100000219599_200000210301 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.124 CC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000210206 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000210206 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219376_200000210301 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219374_100000210206 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219376_200000210301 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.124 CC(C)N(C)c1ccccc1Cl 7a_100000219376_200000210301 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.124 CC(C)N(C)c1ccccc1F 2230a_100000220357_100000210206 [0,1,0,0,0,0|2,0,1]=4 587 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220357_100000210206 [0,1,0,0,0,0|2,0,1]=4 588 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220358_200000210301 [0,1,0,0,0,0|2,0,1]=4 589 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220357_100000210206 [0,1,0,0,0,0|2,0,1]=4 590 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220358_200000210301 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220357_100000210206 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220358_200000210301 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.124 CC(C)N(C)c1ccccc1F 7a_100000220358_200000210301 [0,1,0,0,0,0|2,0,1]=4 594 B12R1.124 CC(C)N(C)c1ccccc1O 269982a_100000033821_100000210206 [0,1,0,0,0,0|1,0,1]=3 595 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 269982a_100000219599_200025704644 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 34a_100000219599_200025704644 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 7a_100000219599_200025704644 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 269982a_100000219376_200025704644 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 34a_100000219376_200025704644 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 7a_100000219376_200025704644 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.124 CC(C)N([13CH3])c1ccccc1F 269982a_100000220358_200025704644 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.124 CC(C)N([13CH3])c1ccccc1F 34a_100000220358_200025704644 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.124 CC(C)N([13CH3])c1ccccc1F 38a_100000220358_200025704644 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.124 CC(C)N([13CH3])c1ccccc1F 7a_100000220358_200025704644 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,0,0|2,0,0]=3 619 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.127 CC(=Cc1cc(ccc1Br)Br)C 271570a_100102525489_100011483371 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.127 CC(=Cc1cc(ccc1Br)C)C 271570a_100102525489_100012353751 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.127 CC(=Cc1cc(ccc1Br)Cl)C 271570a_100102525489_100012339723 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.127 CC(=Cc1cc(ccc1Br)F)C 271570a_100102525489_100011217576 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.127 CC(=Cc1cc(ccc1Br)N)C 271570a_100102525489_100000750459 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.127 CC(=Cc1cc(ccc1Br)O)C 271570a_100102525489_100012339312 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.127 CC(=Cc1cc(ccc1C)Br)C 271570a_100102525489_100011344865 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.127 CC(=Cc1cc(ccc1C)C)C 271570a_100102525489_100000210833 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.127 CC(=Cc1cc(ccc1C)Cl)C 271570a_100102525489_100011263213 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.127 CC(=Cc1cc(ccc1C)F)C 271570a_100102525489_100011218078 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.127 CC(=Cc1cc(ccc1C)N)C 271570a_100102525489_100000736455 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.127 CC(=Cc1cc(ccc1C)O)C 271570a_100102525489_100011380479 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.127 CC(=Cc1cc(ccc1Cl)Br)C 271570a_100102525489_100011772130 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.127 CC(=Cc1cc(ccc1Cl)C)C 271570a_100102525489_100012356289 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.127 CC(=Cc1cc(ccc1Cl)Cl)C 271570a_100102525489_100000707729 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.127 CC(=Cc1cc(ccc1Cl)F)C 271570a_100102525489_100011217299 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.127 CC(=Cc1cc(ccc1Cl)N)C 271570a_100102525489_100012360549 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.127 CC(=Cc1cc(ccc1Cl)O)C 271570a_100102525489_100000049588 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.127 CC(=Cc1cc(ccc1F)Br)C 271570a_100102525489_100011217312 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.127 CC(=Cc1cc(ccc1F)C)C 271570a_100102525489_100000736223 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.127 CC(=Cc1cc(ccc1F)Cl)C 271570a_100102525489_100011218116 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.127 CC(=Cc1cc(ccc1F)F)C 271570a_100102525489_100000750033 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.127 CC(=Cc1cc(ccc1F)N)C 271570a_100102525489_100000760356 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.127 CC(=Cc1cc(ccc1F)O)C 271570a_100102525489_100000693481 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.127 CC(=Cc1cc(ccc1N)Br)C 271570a_100102525489_100000187925 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.127 CC(=Cc1cc(ccc1N)C)C 271570a_100102525489_100000210942 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.127 CC(=Cc1cc(ccc1N)Cl)C 271570a_100102525489_100000761889 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.127 CC(=Cc1cc(ccc1N)F)C 271570a_100102525489_100000760547 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.127 CC(=Cc1cc(ccc1N)N)C 271570a_100102525489_100011534242 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.127 CC(=Cc1cc(ccc1N)O)C 271570a_100102525489_100012001276 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.127 CC(=Cc1cc(cnc1O)Br)C 271570a_100102525489_100010197142 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.127 CC(=Cc1cc(cnc1O)C)C 271570a_100102525489_100000049931 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.127 CC(=Cc1cc(cnc1O)Cl)C 271570a_100102525489_100010188700 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.127 CC(=Cc1cc(ncc1O)C)C 271570a_100102525489_100009843476 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.127 CC(=Cc1cc(ncc1O)Cl)C 271570a_100102525489_100000698892 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.127 CC(=Cc1nc(ccc1O)Br)C 271570a_100102525489_100010253912 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.127 CC(=Cc1nc(ccc1O)C)C 271570a_100102525489_100000702858 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.127 CC(=Cc1nc(ccc1O)Cl)C 271570a_100102525489_100000696390 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.127 CC(=Cc1nc(ccc1O)F)C 271570a_100102525489_100010382442 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,1,0,0,0,0|2,0,0]=3 667 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,0|2,0,0]=3 676 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,1,0,0,0,0|2,0,0]=3 684 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,1,0,0,0,0|2,0,0]=3 686 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,1,0,0,0,0|2,0,0]=3 690 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,1,0,0,0,0|1,0,0]=2 701 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,1,0,0,0,0|1,0,0]=2 702 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,0,0,0,0|1,0,0]=2 703 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,0,0,0,0|1,0,0]=2 704 B12R1.127 CC(=O)Cc1cc(cnc1Br)Br 1458a_100000070787_100010253922 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.127 CC(=O)Cc1cc(cnc1Cl)Br 1458a_100000070787_100009816982 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.127 CC(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200000210301 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.127 CC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_200000210301 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,1,0,0,0,0|1,0,0]=2 714 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,1,0,0,0,0|1,0,0]=2 715 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,1,0,0,0,0|1,0,0]=2 716 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,1,0,0,0,0|1,0,0]=2 717 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,1,0,0,0,0|1,0,0]=2 718 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,1,0,0,0,0|1,0,0]=2 719 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,1,0,0,0,0|1,0,0]=2 720 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,1,0,0,0,0|1,0,0]=2 721 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,1,0,0,0,0|1,0,0]=2 722 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,1,0,0,0,0|1,0,0]=2 723 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,1,0,0,0,0|1,0,0]=2 724 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,1,0,0,0,0|1,0,0]=2 725 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,1,0,0,0,0|1,0,0]=2 726 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,1,0,0,0,0|1,0,0]=2 727 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,1,0,0,0,0|1,0,0]=2 728 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,1,0,0,0,0|1,0,0]=2 729 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,0|1,0,0]=2 730 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,0|1,0,0]=2 731 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,0|1,0,0]=2 732 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,1,0,0,0,0|1,0,0]=2 733 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,1,0,0,0,0|1,0,0]=2 734 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,1,0,0,0,0|1,0,0]=2 735 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,1,0,0,0,0|1,0,0]=2 736 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,1,0,0,0,0|1,0,0]=2 737 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,1,0,0,0,0|1,0,0]=2 738 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,1,0,0,0,0|1,0,0]=2 739 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,1,0,0,0,0|1,0,0]=2 740 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,1,0,0,0,0|1,0,0]=2 741 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,1,0,0,0,0|1,0,0]=2 742 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,1,0,0,0,0|1,0,0]=2 743 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,0,0,0,0|1,0,0]=2 744 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,0,0,0,0|1,0,0]=2 745 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,0,0,0,0|1,0,0]=2 746 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,1,0,0,0,0|1,0,0]=2 747 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,1,0,0,0,0|1,0,0]=2 748 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,1,0,0,0,0|1,0,0]=2 749 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,1,0,0,0,0|1,0,0]=2 750 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,1,0,0,0,0|1,0,0]=2 751 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,1,0,0,0,0|1,0,0]=2 752 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,1,0,0,0,0|1,0,0]=2 753 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,1,0,0,0,0|1,0,0]=2 754 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,1,0,0,0,0|1,0,0]=2 755 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,1,0,0,0,0|1,0,0]=2 756 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,1,0,0,0,0|1,0,0]=2 757 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,1,0,0,0,0|1,0,0]=2 758 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,1,0,0,0,0|1,0,0]=2 759 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,1,0,0,0,0|1,0,0]=2 760 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,1,0,0,0,0|1,0,0]=2 761 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,1,0,0,0,0|1,0,0]=2 762 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,1,0,0,0,0|1,0,0]=2 763 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,1,0,0,0,0|1,0,0]=2 764 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,1,0,0,0,0|1,0,0]=2 765 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,1,0,0,0,0|1,0,0]=2 766 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,1,0,0,0,0|1,0,0]=2 767 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,1,0,0,0,0|1,0,0]=2 768 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,1,0,0,0,0|1,0,0]=2 769 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,1,0,0,0,0|1,0,0]=2 770 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,1,0,0,0,0|1,0,0]=2 771 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,1,0,0,0,0|1,0,0]=2 772 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,1,0,0,0,0|1,0,0]=2 773 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,1,0,0,0,0|1,0,0]=2 774 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,1,0,0,0,0|1,0,0]=2 775 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,1,0,0,0,0|1,0,0]=2 776 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,1,0,0,0,0|1,0,0]=2 777 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,1,0,0,0,0|1,0,0]=2 780 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,1,0,0,0,0|1,0,0]=2 781 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,1,0,0,0,0|1,0,0]=2 782 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,1,0,0,0,0|1,0,0]=2 783 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,1,0,0,0,0|1,0,0]=2 784 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,1,0,0,0,0|1,0,0]=2 785 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,1,0,0,0,0|0,0,0]=1 786 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,1,0,0,0,0|0,0,0]=1 787 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,0|0,0,0]=1 788 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,0|0,0,0]=1 789 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,0|0,0,0]=1 790 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,1,0,0,0,0|0,0,0]=1 791 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,1,0,0,0,0|0,0,0]=1 792 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,1,0,0,0,0|0,0,0]=1 793 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,1,0,0,0,0|0,0,0]=1 794 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,1,0,0,0,0|0,0,0]=1 795 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,1,0,0,0,0|0,0,0]=1 796 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,1,0,0,0,0|0,0,0]=1 797 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,0,0,0,0|1,0,0]=2 800 B12R1.127 CC(C)Nc1cc(ccc1Br)Br 34a_100000737762_100000210206 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.127 CC(C)Nc1cc(ccc1Br)Cl 34a_100000687073_100000210206 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.127 CC(C)Nc1cc(ccc1Br)F 34a_100000687223_100000210206 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.127 CC(C)Nc1cc(ccc1Br)O 34a_100011999798_100000210206 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.127 CC(C)Nc1cc(ccc1Cl)Br 34a_100000750497_100000210206 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.127 CC(C)Nc1cc(ccc1Cl)Cl 34a_100000184485_100000210206 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.127 CC(C)Nc1cc(ccc1Cl)F 34a_100000751338_100000210206 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.127 CC(C)Nc1cc(ccc1Cl)I 34a_200000761891_100000210206 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.127 CC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000210206 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.127 CC(C)Nc1cc(ccc1F)Br 34a_100000740924_100000210206 [0,1,0,0,0,0|2,0,1]=4 810 B12R1.127 CC(C)Nc1cc(ccc1F)Cl 34a_100000212115_100000210206 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.127 CC(C)Nc1cc(ccc1F)F 34a_100000210742_100000210206 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.127 CC(C)Nc1cc(ccc1F)I 34a_100011464823_100000210206 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.127 CC(C)Nc1cc(ccc1F)O 34a_100012017239_100000210206 [0,1,0,0,0,0|2,0,1]=4 814 B12R1.127 CC(C)Nc1cc(ccc1I)Br 34a_100000743836_100000210206 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.127 CC(C)Nc1cc(ccc1I)Cl 34a_100000761886_100000210206 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.127 CC(C)Nc1cc(ccc1I)F 34a_100011218093_100000210206 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.127 CC(C)Nc1cc(ccc1O)Br 34a_100000752626_100000210206 [0,1,0,0,0,0|1,0,1]=3 818 B12R1.127 CC(C)Nc1cc(ccc1O)Cl 34a_100000210500_100000210206 [0,1,0,0,0,0|1,0,1]=3 819 B12R1.127 CC(C)Nc1cc(ccc1O)F 34a_100000759472_100000210206 [0,1,0,0,0,0|1,0,1]=3 820 B12R1.127 CC(C)Oc1cc(ccc1O)F 271570a_203496583355_200012359391 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100000210206_100012355227 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100012355227_100000210206 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100000210206_100011356953 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100011356953_100000210206 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000210206_100000211999 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000211999_100000210206 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100000210206_100011534360 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100011534360_100000210206 [0,1,0,0,0,0|2,0,1]=4 829 B12R1.127 CC(C)Sc1cc(ccc1O)O 62a_100000210206_100009813629 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.127 CN(C)Cc1cc(ccc1O)Br 2230a_100011602694_200000210301 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.127 CN(C)Cc1cc(ccc1O)Br 269982a_100011602694_200000210301 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 2230a_100000712467_200000210301 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 269982a_100000712467_200000210301 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.127 CN(C)Cc1cc(ccc1O)F 2230a_114855342409_200000210301 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_100102631434_100010161318 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_114855342409_200000210301 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.127 CN(C)Cc1cc(ccc1O)F 34a_114855342409_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.127 CN(C)Cc1cc(ccc1O)O 271570a_203496583355_100011934597 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 2230a_100011602694_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 269982a_100011602694_200025704644 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 2230a_100000712467_200025704644 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 269982a_100000712467_200025704644 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 2230a_114855342409_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 269982a_114855342409_200025704644 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 34a_114855342409_200025704644 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.127 Cc1ccc(=O)n(c1)CC(=O)[13CH3] 1458a_100009850670_200025704644 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,1,0,0,0,0|2,0,0]=3 848 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,1,0,0,0,0|2,0,0]=3 850 B12R1.127 Cc1ccc(c(c1)NC(C)C)Br 34a_100000745044_100000210206 [0,1,0,0,0,0|2,0,1]=4 851 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 2230a_100000185781_100000210206 [0,1,0,0,0,0|2,0,1]=4 852 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 34a_100000185781_100000210206 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 7a_100000185781_100000210206 [0,1,0,0,0,0|2,0,1]=4 854 B12R1.127 Cc1ccc(c(c1)NC(C)C)Cl 34a_100011215360_100000210206 [0,1,0,0,0,0|2,0,1]=4 855 B12R1.127 Cc1ccc(c(c1)NC(C)C)F 34a_100000211285_100000210206 [0,1,0,0,0,0|2,0,1]=4 856 B12R1.127 Cc1ccc(c(c1)NC(C)C)I 34a_100011216686_100000210206 [0,1,0,0,0,0|2,0,1]=4 857 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [0,1,0,0,0,0|1,0,1]=3 858 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [0,1,0,0,0,0|2,0,1]=4 859 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [0,1,0,0,0,0|2,0,1]=4 860 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.127 Cc1ccc(cc1NC(C)C)Br 34a_100000741167_100000210206 [0,1,0,0,0,0|2,0,1]=4 863 B12R1.127 Cc1ccc(cc1NC(C)C)Br 7a_100000741167_100000210206 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 34a_100000211374_100000210206 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 7a_100000211374_100000210206 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.127 Cc1ccc(cc1NC(C)C)F 34a_100000211107_100000210206 [0,1,0,0,0,0|2,0,1]=4 867 B12R1.127 Cc1ccc(cc1NC(C)C)F 7a_100000211107_100000210206 [0,1,0,0,0,0|2,0,1]=4 868 B12R1.127 Cc1ccc(cc1NC(C)C)I 7a_100000761890_100000210206 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.127 Cc1ccc(cc1NC(C)C)O 271570a_203496583355_200000714908 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.127 Cc1ccc(cc1NC(C)C)O 34a_100011216113_100000210206 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,1,0,0,0,0|1,0,0]=2 881 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,0,0,0,0|1,0,0]=2 882 B12R1.127 [13CH3]C(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200025704644 [0,1,0,0,0,0|2,0,1]=4 883 B12R1.151 CC(C)(C)Nc1ccccc1Br 34a_100000210017_100000210625 [0,1,0,0,0,0|2,0,1]=4 884 B12R1.151 CC(C)(C)Nc1ccccc1Cl 34a_100000185783_100000210625 [0,1,0,0,0,0|2,0,1]=4 885 B12R1.151 CC(C)(C)Nc1ccccc1F 34a_100000210422_100000210625 [0,1,0,0,0,0|2,0,1]=4 886 B12R1.151 CC(C)(C)Nc1ccccc1I 34a_100000210053_100000210625 [0,1,0,0,0,0|2,0,1]=4 887 B12R1.151 CC(C)(C)Nc1ccccc1O 34a_100000185747_100000210625 [0,1,0,0,0,0|1,0,1]=3 888 B12R1.151 CC(C)(C)Oc1ccccc1O 271570a_203496583355_100010078496 [0,1,0,0,0,0|2,0,1]=4 889 B12R1.151 CC(C)(C)Sc1ccccc1O 62a_100000211941_100000739446 [0,1,0,0,0,0|2,0,1]=4 890 B12R1.151 CC(C)(C)Sc1ccccc1O 62a_100000739446_100000211941 [0,1,0,0,0,0|2,0,1]=4 891 B12R1.151 CC(C)(N)Cc1ccccc1O 271570a_203496583355_100161000475 [0,1,0,0,0,0|2,0,1]=4 892 B12R1.151 CS(=O)(=O)Cc1ccccc1O 271570a_203496583355_100009814642 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.151 CS(=O)(=O)Nc1ccccc1I 40a_100000210053_100000738038 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.151 CS(=O)(=O)Nc1ccccc1O 271570a_203496583355_100000165598 [0,1,0,0,0,0|1,0,0]=2 895 B12R1.151 Cc1ccccc1NC(C)(C)C 34a_100015192222_100000210625 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.151 Oc1ccccc1NC(F)(F)F 34a_100000185747_200103152311 [0,1,0,0,0,0|2,0,1]=4 897 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.224 CC(=Cc1cccc(c1C)Br)C 271570a_100102525489_100012353703 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.224 CC(=Cc1cccc(c1C)C)C 271570a_100102525489_100011214922 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.224 CC(=Cc1cccc(c1C)Cl)C 271570a_100102525489_100000726075 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.224 CC(=Cc1cccc(c1C)F)C 271570a_100102525489_100011216893 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.224 CC(=Cc1cccc(c1C)N)C 271570a_100102525489_100000761887 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.224 CC(=Cc1cccc(c1Cl)Br)C 271570a_100102525489_100010142854 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.224 CC(=Cc1cccc(c1Cl)C)C 271570a_100102525489_200012352035 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.224 CC(=Cc1cccc(c1Cl)Cl)C 271570a_100102525489_100011215384 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.224 CC(=Cc1cccc(c1Cl)F)C 271570a_100102525489_200010234923 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.224 CC(=Cc1cccc(c1F)Br)C 271570a_100102525489_100000702267 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.224 CC(=Cc1cccc(c1F)C)C 271570a_100102525489_100000717567 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.224 CC(=Cc1cccc(c1F)Cl)C 271570a_100102525489_100011217346 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.224 CC(=Cc1cccc(c1F)F)C 271570a_100102525489_100000694657 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.224 CC(=Cc1cccc(c1F)N)C 271570a_100102525489_100011935091 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.224 CC(=Cc1cccc(c1N)Br)C 271570a_100102525489_100010146558 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.224 CC(=Cc1cccc(c1N)C)C 271570a_100102525489_100011834072 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.224 CC(=Cc1cccc(c1N)Cl)C 271570a_100102525489_100010190421 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.224 CC(=Cc1cccc(c1N)F)C 271570a_100102525489_100000042321 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.224 CC(=Cc1cccc(c1N)N)C 271570a_100102525489_100015191791 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,1,0,0,0,0|2,0,0]=3 922 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,1,0,0,0,0|2,0,0]=3 923 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,1,0,0,0,0|2,0,0]=3 924 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,1,0,0,0,0|2,0,0]=3 925 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,1,0,0,0,0|2,0,0]=3 926 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,1,0,0,0,0|2,0,0]=3 927 B12R1.224 CC(=Cc1nccc(c1O)C)C 271570a_100102525489_100000696282 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.224 CC(=Cc1nccc(c1O)F)C 271570a_100102525489_100009867227 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,1,0,0,0,0|2,0,0]=3 931 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,1,0,0,0,0|2,0,0]=3 932 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,1,0,0,0,0|2,0,0]=3 946 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,1,0,0,0,0|2,0,0]=3 947 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,1,0,0,0,0|2,0,0]=3 948 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,1,0,0,0,0|2,0,0]=3 949 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,1,0,0,0,0|2,0,0]=3 950 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,1,0,0,0,0|2,0,0]=3 951 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,1,0,0,0,0|2,0,0]=3 952 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,1,0,0,0,0|2,0,0]=3 953 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,1,0,0,0,0|2,0,0]=3 954 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,1,0,0,0,0|2,0,0]=3 956 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,1,0,0,0,0|2,0,0]=3 957 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.224 CC(=O)Cn1cccc(c1=O)C 1458a_100000697016_200000210301 [0,1,0,0,0,0|2,0,1]=4 959 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,1,0,0,0,0|1,0,0]=2 960 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,1,0,0,0,0|1,0,0]=2 961 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,1,0,0,0,0|1,0,0]=2 962 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,1,0,0,0,0|1,0,0]=2 963 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,1,0,0,0,0|1,0,0]=2 964 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,1,0,0,0,0|1,0,0]=2 965 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,1,0,0,0,0|1,0,0]=2 966 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,1,0,0,0,0|1,0,0]=2 967 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,1,0,0,0,0|1,0,0]=2 968 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,1,0,0,0,0|1,0,0]=2 969 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,1,0,0,0,0|1,0,0]=2 970 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,1,0,0,0,0|1,0,0]=2 971 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,0|1,0,0]=2 972 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,0|1,0,0]=2 973 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,0|1,0,0]=2 974 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,0|1,0,0]=2 975 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,1,0,0,0,0|1,0,0]=2 976 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,1,0,0,0,0|1,0,0]=2 977 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,1,0,0,0,0|1,0,0]=2 978 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,1,0,0,0,0|1,0,0]=2 979 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,1,0,0,0,0|1,0,0]=2 980 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,1,0,0,0,0|1,0,0]=2 981 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,1,0,0,0,0|1,0,0]=2 982 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,1,0,0,0,0|1,0,0]=2 983 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,1,0,0,0,0|1,0,0]=2 984 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,1,0,0,0,0|1,0,0]=2 985 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,1,0,0,0,0|1,0,0]=2 986 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,1,0,0,0,0|1,0,0]=2 987 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,0,0,0,0|1,0,0]=2 988 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,0,0,0,0|1,0,0]=2 989 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,0,0,0,0|1,0,0]=2 990 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,1,0,0,0,0|1,0,0]=2 991 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,1,0,0,0,0|1,0,0]=2 992 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,1,0,0,0,0|1,0,0]=2 993 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,1,0,0,0,0|1,0,0]=2 994 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,1,0,0,0,0|1,0,0]=2 995 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,1,0,0,0,0|1,0,0]=2 996 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,1,0,0,0,0|1,0,0]=2 997 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,1,0,0,0,0|1,0,0]=2 998 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,1,0,0,0,0|1,0,0]=2 999 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,1,0,0,0,0|1,0,0]=2 1000 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,1,0,0,0,0|1,0,0]=2 1001 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,1,0,0,0,0|1,0,0]=2 1002 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,1,0,0,0,0|1,0,0]=2 1003 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,1,0,0,0,0|1,0,0]=2 1004 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,1,0,0,0,0|1,0,0]=2 1005 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,1,0,0,0,0|1,0,0]=2 1006 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,1,0,0,0,0|1,0,0]=2 1007 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,1,0,0,0,0|1,0,0]=2 1008 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,1,0,0,0,0|1,0,0]=2 1009 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,1,0,0,0,0|1,0,0]=2 1010 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,1,0,0,0,0|1,0,0]=2 1011 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,1,0,0,0,0|1,0,0]=2 1012 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,1,0,0,0,0|1,0,0]=2 1013 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,1,0,0,0,0|1,0,0]=2 1014 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,1,0,0,0,0|1,0,0]=2 1015 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,1,0,0,0,0|1,0,0]=2 1016 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,1,0,0,0,0|1,0,0]=2 1017 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,1,0,0,0,0|1,0,0]=2 1018 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,1,0,0,0,0|1,0,0]=2 1019 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,1,0,0,0,0|1,0,0]=2 1020 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,1,0,0,0,0|1,0,0]=2 1021 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,1,0,0,0,0|1,0,0]=2 1022 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,1,0,0,0,0|1,0,0]=2 1023 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,1,0,0,0,0|0,0,0]=1 1024 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,1,0,0,0,0|0,0,0]=1 1025 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,0|0,0,0]=1 1026 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,0|0,0,0]=1 1027 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,0|0,0,0]=1 1028 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,0|0,0,0]=1 1029 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,1,0,0,0,0|0,0,0]=1 1030 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,1,0,0,0,0|0,0,0]=1 1031 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,1,0,0,0,0|0,0,0]=1 1032 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,1,0,0,0,0|0,0,0]=1 1033 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,1,0,0,0,0|0,0,0]=1 1034 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,1,0,0,0,0|0,0,0]=1 1035 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,1,0,0,0,0|0,0,0]=1 1036 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,1,0,0,0,0|0,0,0]=1 1037 B12R1.224 CC(C)Nc1cccc(c1Br)Cl 34a_100000687072_100000210206 [0,1,0,0,0,0|2,0,1]=4 1038 B12R1.224 CC(C)Nc1cccc(c1Br)F 34a_100011934729_100000210206 [0,1,0,0,0,0|2,0,1]=4 1039 B12R1.224 CC(C)Nc1cccc(c1Br)O 34a_100012183704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1040 B12R1.224 CC(C)Nc1cccc(c1Br)O 7a_100012183704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1041 B12R1.224 CC(C)Nc1cccc(c1Cl)Br 34a_100000687075_100000210206 [0,1,0,0,0,0|2,0,1]=4 1042 B12R1.224 CC(C)Nc1cccc(c1Cl)Cl 34a_100000185733_100000210206 [0,1,0,0,0,0|2,0,1]=4 1043 B12R1.224 CC(C)Nc1cccc(c1Cl)F 34a_100000692321_100000210206 [0,1,0,0,0,0|2,0,1]=4 1044 B12R1.224 CC(C)Nc1cccc(c1Cl)O 34a_100012002038_100000210206 [0,1,0,0,0,0|2,0,1]=4 1045 B12R1.224 CC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000210206 [0,1,0,0,0,0|2,0,1]=4 1046 B12R1.224 CC(C)Nc1cccc(c1F)Br 2230a_100011935091_100000210206 [0,1,0,0,0,0|2,0,1]=4 1047 B12R1.224 CC(C)Nc1cccc(c1F)Br 34a_100011935091_100000210206 [0,1,0,0,0,0|2,0,1]=4 1048 B12R1.224 CC(C)Nc1cccc(c1F)Cl 2230a_100000199060_100000210206 [0,1,0,0,0,0|2,0,1]=4 1049 B12R1.224 CC(C)Nc1cccc(c1F)Cl 34a_100000199060_100000210206 [0,1,0,0,0,0|2,0,1]=4 1050 B12R1.224 CC(C)Nc1cccc(c1F)F 34a_100000743855_100000210206 [0,1,0,0,0,0|2,0,1]=4 1051 B12R1.224 CC(C)Nc1cccc(c1I)Br 34a_100020590159_100000210206 [0,1,0,0,0,0|2,0,1]=4 1052 B12R1.224 CC(C)Nc1cccc(c1I)Cl 34a_100000049713_100000210206 [0,1,0,0,0,0|2,0,1]=4 1053 B12R1.224 CC(C)Nc1cccc(c1I)F 34a_100000690935_100000210206 [0,1,0,0,0,0|2,0,1]=4 1054 B12R1.224 CC(C)Nc1cccc(c1O)Br 34a_100011934915_100000210206 [0,1,0,0,0,0|1,0,1]=3 1055 B12R1.224 CC(C)Nc1cccc(c1O)Cl 34a_100000754742_100000210206 [0,1,0,0,0,0|1,0,1]=3 1056 B12R1.224 CC(C)Nc1cccc(c1O)F 34a_100011934987_100000210206 [0,1,0,0,0,0|1,0,1]=3 1057 B12R1.224 CC(C)Sc1cccc(c1O)Br 62a_100000210206_100010084509 [0,1,0,0,0,0|2,0,1]=4 1058 B12R1.224 CC(C)Sc1cccc(c1O)Br 62a_100010084509_100000210206 [0,1,0,0,0,0|2,0,1]=4 1059 B12R1.224 CC(C)Sc1cccc(c1O)Cl 62a_100000210206_100010202889 [0,1,0,0,0,0|2,0,1]=4 1060 B12R1.224 CC(C)Sc1cccc(c1O)Cl 62a_100010202889_100000210206 [0,1,0,0,0,0|2,0,1]=4 1061 B12R1.224 CC(C)Sc1cccc(c1O)F 62a_100000210206_100009813666 [0,1,0,0,0,0|2,0,1]=4 1062 B12R1.224 CC(C)Sc1cccc(c1O)F 62a_100009813666_100000210206 [0,1,0,0,0,0|2,0,1]=4 1063 B12R1.224 CC(C)Sc1cccc(c1O)N 62a_100000210206_100010084371 [0,1,0,0,0,0|2,0,1]=4 1064 B12R1.224 CC(C)Sc1cccc(c1O)N 62a_100011934915_100000210206 [0,1,0,0,0,0|2,0,1]=4 1065 B12R1.224 CC(C)Sc1cccc(c1O)O 62a_100000210206_100009815950 [0,1,0,0,0,0|2,0,1]=4 1066 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,1,0,0,0,0|2,0,0]=3 1067 B12R1.224 Cc1c(cccc1NC(C)C)Br 34a_100000750434_100000210206 [0,1,0,0,0,0|2,0,1]=4 1068 B12R1.224 Cc1c(cccc1NC(C)C)Cl 2230a_100000210441_100000210206 [0,1,0,0,0,0|2,0,1]=4 1069 B12R1.224 Cc1c(cccc1NC(C)C)Cl 34a_100000210441_100000210206 [0,1,0,0,0,0|2,0,1]=4 1070 B12R1.224 Cc1c(cccc1NC(C)C)Cl 7a_100000210441_100000210206 [0,1,0,0,0,0|2,0,1]=4 1071 B12R1.224 Cc1c(cccc1NC(C)C)F 34a_100000745574_100000210206 [0,1,0,0,0,0|2,0,1]=4 1072 B12R1.224 Cc1c(cccc1NC(C)C)F 7a_100000745574_100000210206 [0,1,0,0,0,0|2,0,1]=4 1073 B12R1.224 Cc1c(cccc1NC(C)C)I 34a_100000761887_100000210206 [0,1,0,0,0,0|2,0,1]=4 1074 B12R1.224 Cc1c(cccc1NC(C)C)O 34a_100011216573_100000210206 [0,1,0,0,0,0|2,0,1]=4 1075 B12R1.224 Cc1c(cccc1NC(C)C)O 7a_100011216573_100000210206 [0,1,0,0,0,0|2,0,1]=4 1076 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,1,0,0,0,0|2,0,0]=3 1077 B12R1.224 Cc1cccc(c1Br)NC(C)C 34a_100000684715_100000210206 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.224 Cc1cccc(c1C)NC(C)C 2230a_100000210026_100000210206 [0,1,0,0,0,0|2,0,1]=4 1080 B12R1.224 Cc1cccc(c1C)NC(C)C 34a_100000210026_100000210206 [0,1,0,0,0,0|2,0,1]=4 1081 B12R1.224 Cc1cccc(c1C)NC(C)C 7a_100000210026_100000210206 [0,1,0,0,0,0|2,0,1]=4 1082 B12R1.224 Cc1cccc(c1Cl)NC(C)C 34a_100000765562_100000210206 [0,1,0,0,0,0|2,0,1]=4 1083 B12R1.224 Cc1cccc(c1Cl)NC(C)C 7a_100000765562_100000210206 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.224 Cc1cccc(c1F)NC(C)C 2230a_100000697159_100000210206 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.224 Cc1cccc(c1F)NC(C)C 34a_100000697159_100000210206 [0,1,0,0,0,0|2,0,1]=4 1086 B12R1.224 Cc1cccc(c1F)NC(C)C 7a_100000697159_100000210206 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.224 Cc1cccc(c1I)NC(C)C 34a_100000761888_100000210206 [0,1,0,0,0,0|2,0,1]=4 1088 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,1,0,0,0,0|2,0,0]=3 1089 B12R1.224 Cc1cccc(c1O)NC(C)C 34a_100000756359_100000210206 [0,1,0,0,0,0|1,0,1]=3 1090 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100000210206_100009817157 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100009817157_100000210206 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.224 Cc1cccn(c1=O)CC(=O)[13CH3] 1458a_100000697016_200025704644 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,1,0,0,0,0|2,0,0]=3 1096 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,1,0,0,0,0|2,0,0]=3 1097 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,1,0,0,0,0|2,0,0]=3 1098 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.233 CC(=Cc1ccc(cc1Br)Br)C 271570a_100102525489_100011484698 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.233 CC(=Cc1ccc(cc1Br)C)C 271570a_100102525489_100009813563 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.233 CC(=Cc1ccc(cc1Br)Cl)C 271570a_100102525489_100011219703 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.233 CC(=Cc1ccc(cc1Br)F)C 271570a_100102525489_100011217111 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.233 CC(=Cc1ccc(cc1Br)N)C 271570a_100102525489_100000750458 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.233 CC(=Cc1ccc(cc1C)Br)C 271570a_100102525489_100000701812 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.233 CC(=Cc1ccc(cc1C)Cl)C 271570a_100102525489_100011219607 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.233 CC(=Cc1ccc(cc1C)F)C 271570a_100102525489_100011205405 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.233 CC(=Cc1ccc(cc1C)N)C 271570a_100102525489_100000210723 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.233 CC(=Cc1ccc(cc1Cl)Br)C 271570a_100102525489_100011216062 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.233 CC(=Cc1ccc(cc1Cl)C)C 271570a_100102525489_100011263221 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.233 CC(=Cc1ccc(cc1Cl)Cl)C 271570a_100102525489_100000699841 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.233 CC(=Cc1ccc(cc1Cl)F)C 271570a_100102525489_100000733362 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.233 CC(=Cc1ccc(cc1Cl)N)C 271570a_100102525489_100000761885 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.233 CC(=Cc1ccc(cc1F)Br)C 271570a_100102525489_100009814013 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.233 CC(=Cc1ccc(cc1F)C)C 271570a_100102525489_100011216119 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.233 CC(=Cc1ccc(cc1F)Cl)C 271570a_100102525489_100011216042 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.233 CC(=Cc1ccc(cc1F)F)C 271570a_100102525489_100000750030 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.233 CC(=Cc1ccc(cc1F)N)C 271570a_100102525489_100011356925 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.233 CC(=Cc1ccc(cc1N)Br)C 271570a_100102525489_100000743836 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.233 CC(=Cc1ccc(cc1N)C)C 271570a_100102525489_100011216686 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.233 CC(=Cc1ccc(cc1N)Cl)C 271570a_100102525489_100000761886 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.233 CC(=Cc1ccc(cc1N)F)C 271570a_100102525489_100011218093 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.233 CC(=Cc1ccc(cc1N)N)C 271570a_100102525489_200012175722 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,1,0,0,0,0|2,0,0]=3 1134 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,1,0,0,0,0|2,0,0]=3 1135 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,0,0|2,0,0]=3 1136 B12R1.233 CC(=Cc1ccc(nc1O)C)C 271570a_100102525489_100009817604 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.233 CC(=Cc1cnc(cc1O)C)C 271570a_100102525489_100011016184 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.233 CC(=Cc1ncc(cc1O)Br)C 271570a_100102525489_100010210634 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.233 CC(=Cc1ncc(cc1O)C)C 271570a_100102525489_100012000487 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.233 CC(=Cc1ncc(cc1O)Cl)C 271570a_100102525489_100010233512 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.233 CC(=Cc1ncc(cc1O)F)C 271570a_100102525489_100000079967 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,0,0,0,0|2,0,0]=3 1150 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1164 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,1,0,0,0,0|1,0,0]=2 1179 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000070787_100000722033 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200000210301 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.233 CC(=O)Cc1cnc(cc1Cl)Cl 1458a_100000070787_100011997056 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.233 CC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_200000210301 [0,1,0,0,0,0|2,0,1]=4 1189 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,1,0,0,0,0|1,0,0]=2 1190 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,1,0,0,0,0|1,0,0]=2 1191 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,1,0,0,0,0|1,0,0]=2 1192 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,1,0,0,0,0|1,0,0]=2 1193 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,1,0,0,0,0|1,0,0]=2 1194 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,1,0,0,0,0|1,0,0]=2 1195 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,1,0,0,0,0|1,0,0]=2 1196 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,1,0,0,0,0|1,0,0]=2 1197 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,1,0,0,0,0|1,0,0]=2 1198 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,1,0,0,0,0|1,0,0]=2 1199 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,0,0,0,0|1,0,0]=2 1200 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,0,0,0,0|1,0,0]=2 1201 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,1,0,0,0,0|1,0,0]=2 1202 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,1,0,0,0,0|1,0,0]=2 1203 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,1,0,0,0,0|1,0,0]=2 1204 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,0|1,0,0]=2 1205 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,0|1,0,0]=2 1206 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,0|1,0,0]=2 1207 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,0|1,0,0]=2 1208 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,1,0,0,0,0|1,0,0]=2 1209 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,1,0,0,0,0|1,0,0]=2 1210 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,1,0,0,0,0|1,0,0]=2 1211 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,1,0,0,0,0|1,0,0]=2 1212 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,1,0,0,0,0|1,0,0]=2 1213 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,1,0,0,0,0|1,0,0]=2 1214 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,1,0,0,0,0|1,0,0]=2 1215 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,1,0,0,0,0|1,0,0]=2 1216 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,1,0,0,0,0|1,0,0]=2 1217 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,1,0,0,0,0|1,0,0]=2 1218 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,0|1,0,0]=2 1219 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,0|1,0,0]=2 1220 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,0|1,0,0]=2 1221 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,1,0,0,0,0|1,0,0]=2 1222 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,1,0,0,0,0|1,0,0]=2 1223 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,1,0,0,0,0|1,0,0]=2 1224 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,1,0,0,0,0|1,0,0]=2 1225 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,1,0,0,0,0|1,0,0]=2 1226 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,1,0,0,0,0|1,0,0]=2 1227 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,1,0,0,0,0|1,0,0]=2 1228 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,1,0,0,0,0|1,0,0]=2 1229 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,1,0,0,0,0|1,0,0]=2 1230 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,1,0,0,0,0|1,0,0]=2 1231 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,1,0,0,0,0|1,0,0]=2 1232 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,1,0,0,0,0|1,0,0]=2 1233 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,1,0,0,0,0|1,0,0]=2 1234 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,1,0,0,0,0|1,0,0]=2 1235 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,0,0,0,0|1,0,0]=2 1236 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,0,0,0,0|1,0,0]=2 1237 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,0,0,0,0|1,0,0]=2 1238 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,1,0,0,0,0|1,0,0]=2 1239 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,1,0,0,0,0|1,0,0]=2 1240 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,1,0,0,0,0|1,0,0]=2 1241 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,1,0,0,0,0|1,0,0]=2 1242 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,1,0,0,0,0|1,0,0]=2 1243 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,1,0,0,0,0|1,0,0]=2 1244 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,1,0,0,0,0|1,0,0]=2 1245 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,1,0,0,0,0|1,0,0]=2 1246 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,1,0,0,0,0|1,0,0]=2 1247 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,1,0,0,0,0|1,0,0]=2 1248 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,1,0,0,0,0|1,0,0]=2 1249 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,1,0,0,0,0|1,0,0]=2 1250 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,1,0,0,0,0|1,0,0]=2 1251 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,1,0,0,0,0|1,0,0]=2 1252 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,1,0,0,0,0|1,0,0]=2 1253 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,1,0,0,0,0|1,0,0]=2 1254 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,0,0,0,0|1,0,0]=2 1255 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,0,0,0,0|1,0,0]=2 1256 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,0,0,0,0|1,0,0]=2 1257 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,1,0,0,0,0|1,0,0]=2 1258 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,1,0,0,0,0|1,0,0]=2 1259 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,1,0,0,0,0|1,0,0]=2 1260 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,1,0,0,0,0|1,0,0]=2 1261 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,1,0,0,0,0|1,0,0]=2 1262 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,1,0,0,0,0|1,0,0]=2 1263 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,1,0,0,0,0|1,0,0]=2 1264 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,1,0,0,0,0|1,0,0]=2 1265 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,1,0,0,0,0|1,0,0]=2 1266 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,1,0,0,0,0|1,0,0]=2 1267 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,1,0,0,0,0|1,0,0]=2 1268 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,0,0,0,0|1,0,0]=2 1269 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,0,0,0,0|1,0,0]=2 1270 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,0,0,0,0|1,0,0]=2 1271 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,1,0,0,0,0|0,0,0]=1 1272 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,1,0,0,0,0|0,0,0]=1 1273 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,1,0,0,0,0|0,0,0]=1 1274 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,0,0|0,0,0]=1 1275 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,0,0|0,0,0]=1 1276 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,0,0|0,0,0]=1 1277 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,1,0,0,0,0|0,0,0]=1 1278 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,1,0,0,0,0|0,0,0]=1 1279 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,1,0,0,0,0|0,0,0]=1 1280 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,1,0,0,0,0|0,0,0]=1 1281 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,1,0,0,0,0|0,0,0]=1 1282 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,1,0,0,0,0|0,0,0]=1 1283 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,1,0,0,0,0|0,0,0]=1 1284 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,0,0|0,0,0]=1 1285 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,0,0|0,0,0]=1 1286 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,1,0,0,0,0|1,0,0]=2 1288 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,0,0,0,0|2,0,0]=3 1289 B12R1.233 CC(C)Nc1ccc(cc1Br)Br 34a_100000211012_100000210206 [0,1,0,0,0,0|2,0,1]=4 1290 B12R1.233 CC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100000210206 [0,1,0,0,0,0|2,0,1]=4 1291 B12R1.233 CC(C)Nc1ccc(cc1Br)F 34a_100000738039_100000210206 [0,1,0,0,0,0|2,0,1]=4 1292 B12R1.233 CC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000210206 [0,1,0,0,0,0|2,0,1]=4 1293 B12R1.233 CC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100000210206 [0,1,0,0,0,0|2,0,1]=4 1294 B12R1.233 CC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100000210206 [0,1,0,0,0,0|2,0,1]=4 1295 B12R1.233 CC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100000210206 [0,1,0,0,0,0|2,0,1]=4 1296 B12R1.233 CC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100000210206 [0,1,0,0,0,0|2,0,1]=4 1297 B12R1.233 CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000210206 [0,1,0,0,0,0|2,0,1]=4 1298 B12R1.233 CC(C)Nc1ccc(cc1F)Br 34a_100000210722_100000210206 [0,1,0,0,0,0|2,0,1]=4 1299 B12R1.233 CC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100000210206 [0,1,0,0,0,0|2,0,1]=4 1300 B12R1.233 CC(C)Nc1ccc(cc1F)F 34a_100000210720_100000210206 [0,1,0,0,0,0|2,0,1]=4 1301 B12R1.233 CC(C)Nc1ccc(cc1F)I 34a_100011215594_100000210206 [0,1,0,0,0,0|2,0,1]=4 1302 B12R1.233 CC(C)Nc1ccc(cc1F)O 34a_100000759473_100000210206 [0,1,0,0,0,0|2,0,1]=4 1303 B12R1.233 CC(C)Nc1ccc(cc1I)Br 34a_100000187925_100000210206 [0,1,0,0,0,0|2,0,1]=4 1304 B12R1.233 CC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100000210206 [0,1,0,0,0,0|2,0,1]=4 1305 B12R1.233 CC(C)Nc1ccc(cc1I)F 34a_100000760547_100000210206 [0,1,0,0,0,0|2,0,1]=4 1306 B12R1.233 CC(C)Nc1ccc(cc1I)O 34a_100010084370_100000210206 [0,1,0,0,0,0|2,0,1]=4 1307 B12R1.233 CC(C)Nc1ccc(cc1O)Br 34a_100000739049_100000210206 [0,1,0,0,0,0|1,0,1]=3 1308 B12R1.233 CC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100000210206 [0,1,0,0,0,0|1,0,1]=3 1309 B12R1.233 CC(C)Nc1ccc(cc1O)F 34a_100000753323_100000210206 [0,1,0,0,0,0|1,0,1]=3 1310 B12R1.233 CC(C)Nc1ccc(cc1O)O 34a_100000106777_100000210206 [0,1,0,0,0,0|1,0,1]=3 1311 B12R1.233 CC(C)Oc1ccc(cc1O)F 271570a_203496583355_100000171696 [0,1,0,0,0,0|2,0,1]=4 1312 B12R1.233 CC(C)Oc1ccc(cc1O)N 271570a_203496583355_200000706018 [0,1,0,0,0,0|2,0,1]=4 1313 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100000210206_100012344904 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100012344904_100000210206 [0,1,0,0,0,0|2,0,1]=4 1315 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000210206 [0,1,0,0,0,0|2,0,1]=4 1316 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000210206_100000050036 [0,1,0,0,0,0|2,0,1]=4 1317 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000210206_100000690578 [0,1,0,0,0,0|2,0,1]=4 1318 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000690578_100000210206 [0,1,0,0,0,0|2,0,1]=4 1319 B12R1.233 CC(C)Sc1ccc(cc1O)O 62a_100000210206_100009813921 [0,1,0,0,0,0|2,0,1]=4 1320 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,1,0,0,0,0|2,0,0]=3 1321 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,1,0,0,0,0|2,0,0]=3 1322 B12R1.233 Cc1cc(ccc1NC(C)C)Br 34a_100000211769_100000210206 [0,1,0,0,0,0|2,0,1]=4 1323 B12R1.233 Cc1cc(ccc1NC(C)C)Br 7a_100000211769_100000210206 [0,1,0,0,0,0|2,0,1]=4 1324 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 34a_100000210418_100000210206 [0,1,0,0,0,0|2,0,1]=4 1325 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 7a_100000210418_100000210206 [0,1,0,0,0,0|2,0,1]=4 1326 B12R1.233 Cc1cc(ccc1NC(C)C)F 34a_100000211637_100000210206 [0,1,0,0,0,0|2,0,1]=4 1327 B12R1.233 Cc1cc(ccc1NC(C)C)F 7a_100000211637_100000210206 [0,1,0,0,0,0|2,0,1]=4 1328 B12R1.233 Cc1cc(ccc1NC(C)C)I 34a_100000184554_100000210206 [0,1,0,0,0,0|2,0,1]=4 1329 B12R1.233 Cc1cc(ccc1NC(C)C)I 7a_100000184554_100000210206 [0,1,0,0,0,0|2,0,1]=4 1330 B12R1.233 Cc1cc(ccc1NC(C)C)O 34a_100000756630_100000210206 [0,1,0,0,0,0|2,0,1]=4 1331 B12R1.233 Cc1ccc(c(c1)Br)NC(C)C 34a_100000210942_100000210206 [0,1,0,0,0,0|2,0,1]=4 1332 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,1,0,0,0,0|2,0,0]=3 1333 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 34a_100000736561_100000210206 [0,1,0,0,0,0|2,0,1]=4 1334 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 7a_100000736561_100000210206 [0,1,0,0,0,0|2,0,1]=4 1335 B12R1.233 Cc1ccc(c(c1)Cl)NC(C)C 34a_100000210522_100000210206 [0,1,0,0,0,0|2,0,1]=4 1336 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,1,0,0,0,0|2,0,0]=3 1337 B12R1.233 Cc1ccc(c(c1)F)NC(C)C 34a_100000211023_100000210206 [0,1,0,0,0,0|2,0,1]=4 1338 B12R1.233 Cc1ccc(c(c1)I)NC(C)C 34a_100011356834_100000210206 [0,1,0,0,0,0|2,0,1]=4 1339 B12R1.233 Cc1ccc(c(c1)O)NC(C)C 34a_100000211527_100000210206 [0,1,0,0,0,0|1,0,1]=3 1340 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100000210206_100012002257 [0,1,0,0,0,0|2,0,1]=4 1341 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100012002257_100000210206 [0,1,0,0,0,0|2,0,1]=4 1342 B12R1.233 Cc1ccn(c(=O)c1)CC(=O)[13CH3] 1458a_100000721392_200025704644 [0,1,0,0,0,0|2,0,1]=4 1343 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,1,0,0,0,0|2,0,0]=3 1344 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,1,0,0,0,0|2,0,0]=3 1345 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,1,0,0,0,0|2,0,0]=3 1352 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,1,0,0,0,0|2,0,0]=3 1353 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,1,0,0,0,0|2,0,0]=3 1354 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,1,0,0,0,0|1,0,0]=2 1356 B12R1.233 [13CH3]C(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200025704644 [0,1,0,0,0,0|3,0,0]=4 1357 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,1,0,0,0,0|2,0,1]=4 1360 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,1,0,0,0,0|2,0,1]=4 1361 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,0|2,0,1]=4 1362 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,1,0,0,0,0|2,0,1]=4 1363 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,1,0,0,0,0|2,0,1]=4 1364 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [0,1,0,0,0,0|2,0,1]=4 1365 B12R1.371 C#CC(C)Nc1ccccc1Br 34a_100000210017_200000035995 [0,1,0,0,0,0|2,0,1]=4 1366 B12R1.371 C#CC(C)Nc1ccccc1C 34a_100015192222_200000035995 [0,1,0,0,0,0|2,0,1]=4 1367 B12R1.371 C#CC(C)Nc1ccccc1Cl 34a_100000185783_200000035995 [0,1,0,0,0,0|2,0,1]=4 1368 B12R1.371 C#CC(C)Nc1ccccc1F 34a_100000210422_200000035995 [0,1,0,0,0,0|2,0,1]=4 1369 B12R1.371 C#CC(C)Nc1ccccc1I 34a_100000210053_200000035995 [0,1,0,0,0,0|2,0,1]=4 1370 B12R1.371 C#CC(C)Nc1ccccc1O 34a_100000185747_200000035995 [0,1,0,0,0,0|1,0,1]=3 1371 B12R1.371 C#CC(C)Sc1ccccc1O 62a_200000035995_100000739446 [0,1,0,0,0,0|2,0,1]=4 1372 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,0|2,0,1]=4 1373 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,0|2,0,1]=4 1374 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,0|2,0,1]=4 1375 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,0|2,0,1]=4 1376 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,0|2,0,1]=4 1377 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [0,1,0,0,0,0|2,0,1]=4 1378 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,0|1,0,1]=3 1379 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,0|1,0,1]=3 1380 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,0|1,0,1]=3 1381 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,0|1,0,1]=3 1382 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,0|1,0,1]=3 1383 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,0|1,0,1]=3 1384 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,0|1,0,1]=3 1385 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,0|1,0,1]=3 1386 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,0|0,0,1]=2 1387 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,1,0,0,0,0|2,0,1]=4 1388 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000703298_100000739446 [0,1,0,0,0,0|2,0,1]=4 1389 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000739446_100000703298 [0,1,0,0,0,0|2,0,1]=4 1390 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,1,0,0,0,0|1,0,2]=4 1391 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,1,0,0,0,0|1,0,2]=4 1392 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,1,0,0,0,0|1,0,2]=4 1393 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,1,0,0,0,0|1,0,2]=4 1394 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,1,0,0,0,0|0,0,2]=3 1395 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,1,0,0,0,0|1,0,2]=4 1396 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,0|2,0,0]=3 1397 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,0|2,0,0]=3 1398 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,0|2,0,0]=3 1399 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,0|2,0,0]=3 1400 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,0|2,0,0]=3 1401 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,0|2,0,0]=3 1402 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,0|2,0,0]=3 1403 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,0|2,0,0]=3 1406 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,0|1,0,0]=2 1407 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,1,0,0,0,0|3,0,0]=4 1408 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,0|3,0,0]=4 1409 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,0|3,0,0]=4 1410 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,0|3,0,0]=4 1411 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,1,0,0,0,0|3,0,0]=4 1412 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,1,0,0,0,0|3,0,0]=4 1413 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,1,0,0,0,0|3,0,0]=4 1414 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,1,0,0,0,0|3,0,0]=4 1415 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,1,0,0,0,0|3,0,0]=4 1416 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,0|3,0,0]=4 1418 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,0|3,0,0]=4 1419 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,1,0,0,0,0|3,0,0]=4 1420 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,1,0,0,0,0|3,0,0]=4 1421 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,1,0,0,0,0|3,0,0]=4 1422 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,1,0,0,0,0|2,0,0]=3 1423 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,1,0,0,0,0|2,0,1]=4 1424 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,0|1,0,0]=2 1425 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,0|1,0,0]=2 1426 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,0|1,0,0]=2 1427 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,0|1,0,0]=2 1428 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,0|1,0,0]=2 1429 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,0|1,0,0]=2 1430 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,0|1,0,0]=2 1431 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,0|1,0,0]=2 1432 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,0|1,0,0]=2 1433 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,0|1,0,0]=2 1434 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,0|1,0,0]=2 1435 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,0|1,0,0]=2 1436 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,0|1,0,0]=2 1437 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,0|1,0,0]=2 1438 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,0|1,0,0]=2 1439 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,0|1,0,0]=2 1440 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,0|0,0,0]=1 1441 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,0|0,0,0]=1 1442 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,0|0,0,0]=1 1443 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,1,0,0,0,0|2,0,1]=4 1444 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,0|2,0,1]=4 1445 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,1,0,0,0,0|2,0,1]=4 1446 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,1,0,0,0,0|2,0,1]=4 1447 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,1,0,0,0,0|2,0,1]=4 1448 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,1,0,0,0,0|1,0,1]=3 1449 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,1,0,0,0,0|2,0,1]=4 1451 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,1,0,0,0,0|3,0,0]=4 1455 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1456 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1457 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,1,0,0,0,0|3,0,0]=4 1458 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,0|2,0,0]=3 1462 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,0|2,0,0]=3 1464 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,0|2,0,0]=3 1465 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,0|2,0,0]=3 1466 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,0|2,0,0]=3 1467 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,0|2,0,0]=3 1468 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,0|2,0,0]=3 1469 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,0|2,0,0]=3 1470 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,0|2,0,0]=3 1471 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,0|2,0,0]=3 1472 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,0|2,0,0]=3 1473 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,0|2,0,0]=3 1474 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,0|2,0,0]=3 1475 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,0|2,0,0]=3 1476 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,0|2,0,0]=3 1477 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,0|1,0,0]=2 1478 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,0|1,0,0]=2 1479 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,0|1,0,0]=2 1480 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,0|3,0,0]=4 1481 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,0|3,0,0]=4 1483 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 1493 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 1494 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 1495 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,0|1,0,0]=2 1496 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,0|1,0,0]=2 1497 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,0|1,0,0]=2 1498 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,0|1,0,0]=2 1499 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,0|1,0,0]=2 1500 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,0|0,0,0]=1 1501 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,0|1,0,0]=2 1502 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,0|2,0,0]=3 1503 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,0|0,0,0]=1 1505 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,0|1,0,2]=4 1506 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,0|1,0,2]=4 1507 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,1,0,0,0,0|1,0,2]=4 1508 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,1,0,0,0,0|1,0,2]=4 1509 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,0|2,0,0]=3 1510 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,0|2,0,0]=3 1511 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,0|1,0,0]=2 1512 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,0|1,0,0]=2 1513 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,1,0,0,0,0|1,0,2]=4 1514 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,0|3,0,0]=4 1519 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,0|2,0,0]=3 1520 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,0|2,0,0]=3 1521 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,0|2,0,0]=3 1522 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,0|2,0,0]=3 1523 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,0|2,0,0]=3 1524 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,0|1,0,0]=2 1525 B12R1.371 O=C(CF)Cc1cccnc1Cl 1458a_100000093521_100015361967 [0,1,0,0,0,0|3,0,0]=4 1526 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.371 O=C(CF)Cn1ccccc1=O 1458a_100000189665_100015361967 [0,1,0,0,0,0|2,0,1]=4 1529 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,0|2,0,0]=3 1530 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,0|2,0,0]=3 1531 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,0|2,0,0]=3 1532 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,0|2,0,0]=3 1533 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,1,0,0,0,0|3,0,0]=4 1537 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,0,0,0,0|3,0,0]=4 1538 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,0,0,0,0|3,0,0]=4 1539 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,0,0,0,0|3,0,0]=4 1540 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,0,0,0,0|2,0,0]=3 1541 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,0|1,0,0]=2 1542 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,0|1,0,0]=2 1543 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,0|1,0,0]=2 1544 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,0|1,0,0]=2 1545 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,0|0,0,0]=1 1546 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,0|0,0,0]=1 1547 B12R1.1009 CC(=Cc1c(cccc1Br)Br)C 271570a_100102525489_100009994525 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.1009 CC(=Cc1c(cccc1Br)Cl)C 271570a_100102525489_100010214488 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.1009 CC(=Cc1c(cccc1Br)F)C 271570a_100102525489_100011219512 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.1009 CC(=Cc1c(cccc1Br)N)C 271570a_100102525489_100020590159 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.1009 CC(=Cc1c(cccc1Br)O)C 271570a_100102525489_100010187912 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.1009 CC(=Cc1c(cccc1C)C)C 271570a_100102525489_100000033847 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.1009 CC(=Cc1c(cccc1Cl)C)C 271570a_100102525489_100000043165 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.1009 CC(=Cc1c(cccc1Cl)Cl)C 271570a_100102525489_100000034237 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.1009 CC(=Cc1c(cccc1Cl)F)C 271570a_100102525489_100000050007 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.1009 CC(=Cc1c(cccc1Cl)N)C 271570a_100102525489_100000049713 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.1009 CC(=Cc1c(cccc1Cl)O)C 271570a_100102525489_100000050174 [0,1,0,0,0,0|2,0,0]=3 1558 B12R1.1009 CC(=Cc1c(cccc1F)C)C 271570a_100102525489_100012349962 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.1009 CC(=Cc1c(cccc1F)F)C 271570a_100102525489_100000693133 [0,1,0,0,0,0|3,0,0]=4 1560 B12R1.1009 CC(=Cc1c(cccc1F)N)C 271570a_100102525489_100011934729 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.1009 CC(=Cc1c(cccc1F)O)C 271570a_100102525489_100009820682 [0,1,0,0,0,0|2,0,0]=3 1562 B12R1.1009 CC(=Cc1c(cccc1N)C)C 271570a_100102525489_100000684715 [0,1,0,0,0,0|3,0,0]=4 1563 B12R1.1009 CC(=Cc1c(cccc1O)C)C 271570a_100102525489_100000686692 [0,1,0,0,0,0|2,0,0]=3 1564 B12R1.1009 CC(=Cc1c(cccc1O)N)C 271570a_100102525489_100012183704 [0,1,0,0,0,0|2,0,0]=3 1565 B12R1.1009 CC(=Cc1c(cccc1O)O)C 271570a_100102525489_100010205330 [0,1,0,0,0,0|2,0,0]=3 1566 B12R1.1009 CC(=Cc1c(ccnc1O)C)C 271570a_100102525489_100012000493 [0,1,0,0,0,0|3,0,0]=4 1567 B12R1.1009 CC(=Cc1c(ccnc1O)O)C 271570a_100102525489_200009817435 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [0,1,0,0,0,0|2,0,0]=3 1569 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,1,0,0,0,0|2,0,0]=3 1570 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,1,0,0,0,0|2,0,0]=3 1571 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [0,1,0,0,0,0|2,0,0]=3 1572 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [0,1,0,0,0,0|2,0,0]=3 1573 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [0,1,0,0,0,0|2,0,0]=3 1574 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [0,1,0,0,0,0|2,0,0]=3 1575 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,1,0,0,0,0|2,0,0]=3 1576 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,1,0,0,0,0|2,0,0]=3 1577 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [0,1,0,0,0,0|2,0,0]=3 1578 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [0,1,0,0,0,0|2,0,0]=3 1579 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [0,1,0,0,0,0|2,0,0]=3 1580 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [0,1,0,0,0,0|2,0,0]=3 1581 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,1,0,0,0,0|2,0,0]=3 1582 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [0,1,0,0,0,0|2,0,0]=3 1583 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [0,1,0,0,0,0|2,0,0]=3 1584 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [0,1,0,0,0,0|2,0,0]=3 1585 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,1,0,0,0,0|2,0,0]=3 1586 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [0,1,0,0,0,0|2,0,0]=3 1587 B12R1.1009 CC(=O)Cc1c(cncc1Cl)Cl 1458a_100000070787_200009872113 [0,1,0,0,0,0|3,0,0]=4 1588 B12R1.1009 CC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100015343762 [0,1,0,0,0,0|1,0,0]=2 1589 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,1,0,0,0,0|1,0,0]=2 1590 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,1,0,0,0,0|1,0,0]=2 1591 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100015343762 [0,1,0,0,0,0|1,0,0]=2 1592 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100015343762 [0,1,0,0,0,0|1,0,0]=2 1593 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 11a_100000684712_100015343762 [0,1,0,0,0,0|1,0,0]=2 1594 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100015343762 [0,1,0,0,0,0|1,0,0]=2 1595 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [0,1,0,0,0,0|0,0,0]=1 1596 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,1,0,0,0,0|1,0,0]=2 1597 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,1,0,0,0,0|1,0,0]=2 1598 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,1,0,0,0,0|1,0,0]=2 1599 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,1,0,0,0,0|1,0,0]=2 1600 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,1,0,0,0,0|1,0,0]=2 1601 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100015343762 [0,1,0,0,0,0|1,0,0]=2 1602 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100015343762 [0,1,0,0,0,0|1,0,0]=2 1603 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100015343762 [0,1,0,0,0,0|1,0,0]=2 1604 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100015343762 [0,1,0,0,0,0|1,0,0]=2 1605 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [0,1,0,0,0,0|0,0,0]=1 1606 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [0,1,0,0,0,0|0,0,0]=1 1607 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,1,0,0,0,0|1,0,0]=2 1608 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,1,0,0,0,0|1,0,0]=2 1609 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,1,0,0,0,0|1,0,0]=2 1610 B12R1.1009 CC(=O)Nc1c(cccc1F)F 11a_100000210704_100015343762 [0,1,0,0,0,0|1,0,0]=2 1611 B12R1.1009 CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100015343762 [0,1,0,0,0,0|1,0,0]=2 1612 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [0,1,0,0,0,0|0,0,0]=1 1613 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [0,1,0,0,0,0|0,0,0]=1 1614 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 11a_100010146558_100015343762 [0,1,0,0,0,0|1,0,0]=2 1615 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100015343762 [0,1,0,0,0,0|1,0,0]=2 1616 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100015343762 [0,1,0,0,0,0|1,0,0]=2 1617 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100015343762 [0,1,0,0,0,0|1,0,0]=2 1618 B12R1.1009 CC(=O)Nc1c(cccc1I)F 11a_100000042321_100015343762 [0,1,0,0,0,0|1,0,0]=2 1619 B12R1.1009 CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100015343762 [0,1,0,0,0,0|1,0,0]=2 1620 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [0,1,0,0,0,0|0,0,0]=1 1621 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [0,1,0,0,0,0|0,0,0]=1 1622 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,1,0,0,0,0|0,0,0]=1 1623 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,1,0,0,0,0|0,0,0]=1 1624 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [0,1,0,0,0,0|0,0,0]=1 1625 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [0,1,0,0,0,0|0,0,0]=1 1626 B12R1.1009 CC(C)Nc1c(cccc1Br)Br 34a_100000690995_100000210206 [0,1,0,0,0,0|2,0,1]=4 1627 B12R1.1009 CC(C)Nc1c(cccc1Br)Cl 34a_100102946385_100000210206 [0,1,0,0,0,0|2,0,1]=4 1628 B12R1.1009 CC(C)Nc1c(cccc1Br)F 34a_100000684712_100000210206 [0,1,0,0,0,0|2,0,1]=4 1629 B12R1.1009 CC(C)Nc1c(cccc1Br)O 34a_100011934926_100000210206 [0,1,0,0,0,0|1,0,1]=3 1630 B12R1.1009 CC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000210206 [0,1,0,0,0,0|2,0,1]=4 1631 B12R1.1009 CC(C)Nc1c(cccc1Cl)F 34a_100000760031_100000210206 [0,1,0,0,0,0|2,0,1]=4 1632 B12R1.1009 CC(C)Nc1c(cccc1Cl)O 34a_100012022510_100000210206 [0,1,0,0,0,0|1,0,1]=3 1633 B12R1.1009 CC(C)Nc1c(cccc1F)F 2230a_100000210704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1634 B12R1.1009 CC(C)Nc1c(cccc1F)F 34a_100000210704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1635 B12R1.1009 CC(C)Nc1c(cccc1F)O 34a_100020591140_100000210206 [0,1,0,0,0,0|1,0,1]=3 1636 B12R1.1009 CC(C)Nc1c(cccc1I)F 34a_100000042321_100000210206 [0,1,0,0,0,0|2,0,1]=4 1637 B12R1.1009 CC(C)Oc1c(cccc1F)O 271570a_203496583355_200010078528 [0,1,0,0,0,0|2,0,1]=4 1638 B12R1.1009 CC(C)Sc1c(cccc1Br)O 62a_100000210206_100010187912 [0,1,0,0,0,0|2,0,1]=4 1639 B12R1.1009 CC(C)Sc1c(cccc1Br)O 62a_100010187912_100000210206 [0,1,0,0,0,0|2,0,1]=4 1640 B12R1.1009 CC(C)Sc1c(cccc1Cl)O 62a_100000210206_100000050174 [0,1,0,0,0,0|2,0,1]=4 1641 B12R1.1009 CC(C)Sc1c(cccc1F)O 62a_100000210206_100009820682 [0,1,0,0,0,0|2,0,1]=4 1642 B12R1.1009 CC(C)Sc1c(cccc1F)O 62a_100009820682_100000210206 [0,1,0,0,0,0|2,0,1]=4 1643 B12R1.1009 CC(C)Sc1c(cccc1O)N 62a_100000210206_100012183704 [0,1,0,0,0,0|2,0,1]=4 1644 B12R1.1009 CC(C)Sc1c(cccc1O)N 62a_100012183704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1645 B12R1.1009 CC(C)Sc1c(cccc1O)O 62a_100000210206_100010205330 [0,1,0,0,0,0|2,0,1]=4 1646 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,1,0,0,0,0|2,0,0]=3 1647 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,1,0,0,0,0|2,0,0]=3 1648 B12R1.1009 Cc1cccc(c1NC(C)C)Br 34a_100011834072_100000210206 [0,1,0,0,0,0|2,0,1]=4 1649 B12R1.1009 Cc1cccc(c1NC(C)C)C 34a_100000185769_100000210206 [0,1,0,0,0,0|2,0,1]=4 1650 B12R1.1009 Cc1cccc(c1NC(C)C)Cl 34a_100000756524_100000210206 [0,1,0,0,0,0|2,0,1]=4 1651 B12R1.1009 Cc1cccc(c1NC(C)C)F 34a_100000766463_100000210206 [0,1,0,0,0,0|2,0,1]=4 1652 B12R1.1009 Cc1cccc(c1NC(C)C)O 34a_100000743429_100000210206 [0,1,0,0,0,0|1,0,1]=3 1653 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000210206_100000686692 [0,1,0,0,0,0|2,0,1]=4 1654 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000686692_100000210206 [0,1,0,0,0,0|2,0,1]=4 1655 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [0,1,0,0,0,0|2,0,0]=3 1656 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [0,1,0,0,0,0|2,0,0]=3 1657 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [0,1,0,0,0,0|2,0,0]=3 1658 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [0,1,0,0,0,0|2,0,0]=3 1659 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [0,1,0,0,0,0|2,0,0]=3 1660 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [0,1,0,0,0,0|2,0,0]=3 1661 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,0,1,0,0,0|2,0,0]=3 1662 B10R0.78 C=CC=CC(=O)NNC(=O)C 22a_100000189765_100016291481 [0,0,1,0,0,0|1,0,1]=3 1663 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,0,0,1,0,0|2,0,0]=3 1664 B12R2.202 CN1Cc2cccc(c2C1)O 269982a_100015191671_200000210301 [0,0,0,1,0,0|3,0,0]=4 1665 B12R2.202 CN1Cc2cccc(c2C1)O 34a_100015191671_200000210301 [0,0,0,1,0,0|3,0,0]=4 1666 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,1,0,0|2,0,0]=3 1667 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [0,0,0,1,0,0|3,0,0]=4 1668 B12R2.202 Cc1cn2c(cccc2n1)O 271570a_203496583355_100009817088 [0,0,0,1,0,0|3,0,0]=4 1669 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,0,0,1,0,0|1,0,1]=3 1670 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,1,0,0|0,0,2]=3 1671 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,0,0,1,0,0|0,1,1]=3 1672 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,0,0,1,0,0|2,0,0]=3 1673 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,0,0,1,0,0|2,0,0]=3 1674 B12R2.202 Cc1nc2cncc(c2o1)O 271570a_203496583355_100010197357 [0,0,0,1,0,0|3,0,0]=4 1675 B12R2.202 Cn1cc2c(cccc2n1)O 271570a_203496583355_100009817162 [0,0,0,1,0,0|3,0,0]=4 1676 B12R2.202 Cn1cc2cccc(c2n1)O 271570a_203496583355_100009817170 [0,0,0,1,0,0|2,0,1]=4 1677 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [0,0,0,1,0,0|2,0,1]=4 1678 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [0,0,0,1,0,0|2,0,1]=4 1679 B12R2.202 Nc1nc2c(cccc2s1)O 271570a_203496583355_100000724365 [0,0,0,1,0,0|1,1,1]=4 1680 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [0,0,0,1,0,0|3,0,0]=4 1681 B12R2.202 Nc1nc2cccc(c2s1)O 271570a_203496583355_100010235960 [0,0,0,1,0,0|3,0,0]=4 1682 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,0,0,1,0,0|2,0,0]=3 1683 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,0,0,1,0,0|3,0,0]=4 1684 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,1,0,0|1,0,0]=2 1685 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,1,0,0|0,0,0]=1 1686 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,0,0,1,0,0|2,0,0]=3 1687 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [0,0,0,1,0,0|2,0,0]=3 1688 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,0,0,1,0,0|1,0,2]=4 1689 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,0,0,1,0,0|1,0,2]=4 1690 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [0,0,0,1,0,0|1,0,2]=4 1691 B12R2.202 [13CH3]N1Cc2cccc(c2C1)O 269982a_100015191671_200025704644 [0,0,0,1,0,0|3,0,0]=4 1692 B12R2.202 [13CH3]N1Cc2cccc(c2C1)O 34a_100015191671_200025704644 [0,0,0,1,0,0|3,0,0]=4 1693 B12R2.225 Brc1ccccc1NC2CC2 34a_100000210017_100000211595 [0,0,0,1,0,0|2,0,1]=4 1694 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,0,0,1,0,0|2,0,1]=4 1695 B12R2.225 Clc1ccccc1NC2CC2 34a_100000185783_100000211595 [0,0,0,1,0,0|2,0,1]=4 1696 B12R2.225 Fc1ccccc1NC2CC2 34a_100000210422_100000211595 [0,0,0,1,0,0|2,0,1]=4 1697 B12R2.225 Ic1ccccc1NC2CC2 34a_100000210053_100000211595 [0,0,0,1,0,0|2,0,1]=4 1698 B12R2.225 Oc1ccccc1NC2CC2 34a_100000185747_100000211595 [0,0,0,1,0,0|1,0,1]=3 1699 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,0,0,1,0,0|2,0,1]=4 1700 B12R2.225 Oc1ccccc1SC2CC2 62a_100000739446_100000211595 [0,0,0,1,0,0|2,0,1]=4 1701 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|2,0,0]=3 1702 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|2,0,0]=3 1703 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,0,0,0,1,0|2,0,1]=4 1704 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,0,0,0,1,0|2,1,0]=4 1705 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,0,0,0,1,0|2,0,1]=4 1706 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,0,0,0,1,0|3,0,0]=4 1707 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,0,0,0,1,0|2,0,1]=4 1708 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,0,0,1,0|2,0,0]=3 1709 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,0,0,1,0|2,0,0]=3 1710 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,0,0,1,0|2,0,0]=3 1711 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,0,0,1,0|2,0,0]=3 1712 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,0,0,1,0|2,0,0]=3 1713 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,0,0,1,0|1,0,0]=2 1714 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,0,0,0,1,0|3,0,0]=4 1715 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,0,0,1,0|3,0,0]=4 1716 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,0,0,0,1,0|3,0,0]=4 1717 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,0,0,0,1,0|3,0,0]=4 1718 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,0,0,0,1,0|3,0,0]=4 1719 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,0,0,0,1,0|3,0,0]=4 1720 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,0,0,0,1,0|3,0,0]=4 1721 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,0,0,0,1,0|3,0,0]=4 1722 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,0,0,0,1,0|3,0,0]=4 1723 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,0,0,0,1,0|3,0,0]=4 1724 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,0,0,0,1,0|2,0,0]=3 1725 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,0,0,0,1,0|3,0,0]=4 1726 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,0,0,0,1,0|3,0,0]=4 1727 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,0,0,0,1,0|3,0,0]=4 1728 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,0,0,0,1,0|3,0,0]=4 1729 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,0,0,0,1,0|3,0,0]=4 1730 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [0,0,0,0,1,0|3,0,0]=4 1731 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,0,0,0,1,0|3,0,0]=4 1732 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,0,1,0|3,0,0]=4 1733 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,0,0,0,1,0|3,0,0]=4 1734 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,0,0,0,1,0|3,0,0]=4 1735 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,0,0,0,1,0|3,0,0]=4 1736 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,0,0,0,1,0|2,0,0]=3 1737 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,0,1,0|1,0,0]=2 1738 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,0,1,0|1,0,0]=2 1739 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,0,1,0|1,0,0]=2 1740 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,0,1,0|1,0,0]=2 1741 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,0,1,0|1,0,0]=2 1742 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,0,1,0|0,0,0]=1 1743 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,0,1,0|0,0,0]=1 1744 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,0,1,0|0,0,1]=2 1745 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,0,0,1,0|1,0,0]=2 1746 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,0,0,1,0|1,0,0]=2 1747 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,0,0,1,0|1,0,0]=2 1748 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,0,1,0|1,0,0]=2 1749 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,0,0,1,0|2,0,0]=3 1750 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,0,0,1,0|1,0,1]=3 1751 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,0,0,0,1,0|2,0,1]=4 1752 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,0,0,0,1,0|1,0,1]=3 1753 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,0,0,0,1,0|2,0,1]=4 1754 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,0,0,0,1,0|0,0,2]=3 1755 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,0,0,0,1,0|1,0,2]=4 1756 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,0,0,0,1,0|3,0,0]=4 1757 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,0,0,0,1,0|3,0,0]=4 1758 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,0,0,0,1,0|3,0,0]=4 1759 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,0,0,0,1,0|3,0,0]=4 1760 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,0,0,0,1,0|3,0,0]=4 1761 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,0,0,0,1,0|3,0,0]=4 1762 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,0,0,0,1,0|3,0,0]=4 1763 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,0,0,0,1,0|3,0,0]=4 1764 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,0,0,0,1,0|3,0,0]=4 1765 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,0,0,0,1,0|3,0,0]=4 1766 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,0,0,0,1,0|2,0,0]=3 1767 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,0,0,0,1,0|2,0,0]=3 1768 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [0,0,0,0,1,0|3,0,0]=4 1769 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,0,0,0,1,0|3,0,0]=4 1770 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,0,0,0,1,0|3,0,0]=4 1771 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,0,0,0,1,0|3,0,0]=4 1772 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,0,0,0,1,0|3,0,0]=4 1773 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,0,0,0,1,0|3,0,0]=4 1774 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,0,0,0,1,0|3,0,0]=4 1775 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,0,0,0,1,0|3,0,0]=4 1776 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,0,0,0,1,0|3,0,0]=4 1777 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,0,0,0,1,0|3,0,0]=4 1778 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,0,0,0,1,0|3,0,0]=4 1779 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,0,0,0,1,0|3,0,0]=4 1780 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,0,0,0,1,0|2,0,0]=3 1781 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,0,0,1,0|1,0,0]=2 1782 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,0,0,0,1,0|1,0,2]=4 1783 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,0,1,0|1,0,0]=2 1784 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,0,0,1,0|3,0,0]=4 1785 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,0,0,1,0|3,0,0]=4 1786 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,0,0,1,0|3,0,0]=4 1787 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,0,0,1,0|3,0,0]=4 1788 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,0,0,1,0|3,0,0]=4 1789 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,0,0,1,0|3,0,0]=4 1790 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,0,0,1,0|1,0,0]=2 1791 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,0,0,1,0|2,0,0]=3 1792 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,0,0,0,1,0|2,0,0]=3 1793 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,0,0,0,1,0|2,0,0]=3 1794 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,0,0,1,0|2,0,0]=3 1795 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,0,0,0,1,0|3,0,0]=4 1796 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,0,0,0,1,0|2,0,1]=4 1797 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [0,0,0,0,1,0|2,0,1]=4 1798 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,0,1,0|1,0,0]=2 1799 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,0,1,0|1,0,0]=2 1800 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,0,1,0|1,0,0]=2 1801 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,0,1,0|1,0,0]=2 1802 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,0,1,0|0,0,0]=1 1803 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,0,1,0|0,0,1]=2 1804 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,0,0,0,1,0|3,0,0]=4 1805 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,0,0,0,1,0|3,0,0]=4 1806 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,0,0,0,0,1|2,0,0]=3 1807 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,0,0,0,0,1|2,0,0]=3 1808 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,0,0,0,0,1|2,0,0]=3 1809 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,0,0,0,0,1|2,0,0]=3 1810 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,0,0,0,0,1|2,0,0]=3 1811 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,0,0,0,0,1|1,0,0]=2 1812 B12R1.125 C=C(C)CNc1ccncc1Br 27a_100000765925_100000726257 [0,0,0,0,0,1|3,0,0]=4 1813 B12R1.125 C=C(C)CNc1ccncc1C 27a_100000765925_100000765111 [0,0,0,0,0,1|3,0,0]=4 1814 B12R1.125 C=C(C)CNc1ccncc1F 27a_100000765925_100000035921 [0,0,0,0,0,1|3,0,0]=4 1815 B12R1.125 C=C(C)CNc1ncccc1Br 27a_100000765925_100000696092 [0,0,0,0,0,1|3,0,0]=4 1816 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,0,0,0,0,1|3,0,0]=4 1817 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,0,0,0,0,1|3,0,0]=4 1818 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,0,0,0,0,1|3,0,0]=4 1819 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,0,0,0,0,1|3,0,0]=4 1820 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,0,0,0,0,1|3,0,0]=4 1821 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,0,0,0,0,1|3,0,0]=4 1822 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,0,0,0,0,1|3,0,0]=4 1823 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,0,0,0,0,1|3,0,0]=4 1824 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,0,0,0,0,1|3,0,0]=4 1825 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,0,0,0,0,1|3,0,0]=4 1826 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,0,0,0,0,1|3,0,0]=4 1827 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,0,0,0,0,1|3,0,0]=4 1828 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,0,0,0,0,1|3,0,0]=4 1829 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,0,0,0,0,1|3,0,0]=4 1830 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,0,0,0,0,1|3,0,0]=4 1831 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,0,0,0,0,1|3,0,0]=4 1832 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,0,0,0,0,1|3,0,0]=4 1834 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,0,0,0,0,1|3,0,0]=4 1835 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,0,0,0,0,1|3,0,0]=4 1836 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,0,0,0,0,1|3,0,0]=4 1837 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,0,0,0,0,1|3,0,0]=4 1838 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,0,0,0,0,1|2,0,0]=3 1839 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,0,0,0,0,1|2,0,0]=3 1840 B12R1.125 C=C(C)CSc1cccnc1O 62a_100000748629_100000760158 [0,0,0,0,0,1|3,0,0]=4 1841 B12R1.125 C=C(C)CSc1cccnc1O 62a_100000760158_100000211660 [0,0,0,0,0,1|3,0,0]=4 1842 B12R1.125 C=C(C)CSc1ccncc1O 62a_100000748629_100009817591 [0,0,0,0,0,1|3,0,0]=4 1843 B12R1.125 C=C(C)CSc1ccncc1O 62a_100009817591_100000211660 [0,0,0,0,0,1|3,0,0]=4 1844 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000034122_100000211660 [0,0,0,0,0,1|3,0,0]=4 1845 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000748629_100000034122 [0,0,0,0,0,1|3,0,0]=4 1846 B12R1.125 C=C(F)CNc1ccccc1Br 34a_100000210017_100009893438 [0,0,0,0,0,1|2,0,1]=4 1847 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [0,0,0,0,0,1|2,0,1]=4 1848 B12R1.125 C=C(F)CNc1ccccc1Cl 34a_100000185783_100009893438 [0,0,0,0,0,1|2,0,1]=4 1849 B12R1.125 C=C(F)CNc1ccccc1F 34a_100000210422_100009893438 [0,0,0,0,0,1|2,0,1]=4 1850 B12R1.125 C=C(F)CNc1ccccc1I 34a_100000210053_100009893438 [0,0,0,0,0,1|2,0,1]=4 1851 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,0,0,0,0,1|1,0,1]=3 1852 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,0,0,0,0,1|2,0,1]=4 1853 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,0,0,0,0,1|2,0,1]=4 1854 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,0,0,0,0,1|2,0,0]=3 1855 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,0,0,0,0,1|2,0,0]=3 1856 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,0,0,0,0,1|2,0,0]=3 1857 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,0,0,0,0,1|2,0,0]=3 1858 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,0,0,0,1|1,0,0]=2 1859 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,0,0,0,0,1|2,0,0]=3 1860 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,0,0,0,0,1|2,0,0]=3 1861 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,0,0,0,0,1|2,0,0]=3 1862 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,0,0,0,0,1|2,0,0]=3 1863 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,0,0,0,0,1|2,0,0]=3 1864 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,0,0,0,0,1|2,0,0]=3 1865 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,0,0,0,0,1|2,0,0]=3 1866 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,0,0,0,0,1|2,0,0]=3 1867 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,0,0,0,0,1|2,0,0]=3 1868 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,0,0,0,0,1|1,0,0]=2 1869 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,0,0,0,0,1|1,0,0]=2 1870 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,0,0,0,0,1|2,0,1]=4 1871 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,0,0,0,0,1|2,0,0]=3 1872 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,0,0,0,0,1|2,0,0]=3 1873 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,0,0,0,0,1|2,0,0]=3 1874 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,0,0,0,0,1|2,0,0]=3 1875 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,0,0,0,0,1|1,0,0]=2 1876 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,0,0,0,0,1|2,0,0]=3 1877 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,0,0,0,0,1|2,0,0]=3 1878 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,0,0,0,0,1|1,0,0]=2 1879 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,0,0,0,0,1|1,0,0]=2 1880 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,0,0,0,0,1|1,0,0]=2 1881 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,0,0,0,0,1|1,0,0]=2 1882 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,0,0,0,0,1|1,0,0]=2 1883 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,0,0,0,0,1|1,0,0]=2 1884 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,0,0,0,0,1|1,0,0]=2 1885 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,0,0,0,0,1|1,0,0]=2 1886 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,0,0,0,0,1|1,0,0]=2 1887 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,0,0,0,0,1|1,0,0]=2 1888 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,0,0,0,0,1|1,0,0]=2 1889 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,0,0,0,0,1|1,0,0]=2 1890 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,0,0,0,0,1|1,0,0]=2 1891 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,0,0,0,0,1|1,0,0]=2 1892 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,0,0,0,0,1|1,0,0]=2 1893 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,0,0,0,0,1|1,0,0]=2 1894 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,0,0,0,0,1|1,0,0]=2 1895 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,0,0,0,0,1|1,0,0]=2 1896 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,0,0,0,0,1|1,0,0]=2 1897 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,0,0,0,0,1|1,0,0]=2 1898 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,0,0,0,0,1|1,0,0]=2 1899 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,0,0,0,0,1|0,0,0]=1 1900 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,0,0,0,0,1|0,0,0]=1 1901 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,0,0,0,0,1|0,0,0]=1 1902 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,0,0,0,0,1|2,0,0]=3 1903 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,0,0,0,0,1|2,0,0]=3 1904 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,0,0,0,0,1|2,0,0]=3 1905 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,0,0,0,0,1|2,0,0]=3 1906 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,0,0,0,0,1|2,0,0]=3 1907 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,0,0,0,0,1|2,0,0]=3 1908 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,0,0,0,0,1|2,0,0]=3 1909 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,0,0,0,0,1|2,0,0]=3 1910 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,0,0,0,0,1|2,0,0]=3 1911 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,0,0,0,0,1|2,0,0]=3 1912 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,0,0,0,0,1|2,0,0]=3 1913 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [0,0,0,0,0,1|2,0,0]=3 1914 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [0,0,0,0,0,1|2,0,0]=3 1915 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [0,0,0,0,0,1|2,0,0]=3 1916 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,0,0,0,0,1|2,0,0]=3 1917 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,0,0,0,0,1|2,0,0]=3 1918 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,0,0,0,0,1|2,0,0]=3 1919 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,0,0,0,0,1|2,0,0]=3 1920 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [0,0,0,0,0,1|2,0,0]=3 1921 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [0,0,0,0,0,1|2,0,0]=3 1922 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [0,0,0,0,0,1|2,0,0]=3 1923 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [0,0,0,0,0,1|2,0,0]=3 1924 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,0,0,0,0,1|2,0,0]=3 1925 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,0,0,0,0,1|2,0,0]=3 1926 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,0,0,0,0,1|2,0,0]=3 1927 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,0,0,0,0,1|2,0,0]=3 1928 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,0,0,0,0,1|2,0,0]=3 1929 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,0,0,0,0,1|2,0,0]=3 1930 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,0,0,0,0,1|2,0,0]=3 1931 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,0,0,0,0,1|2,0,0]=3 1932 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,0,0,0,0,1|2,0,0]=3 1933 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,0,0,0,0,1|2,0,0]=3 1934 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,0,0,0,0,1|2,0,0]=3 1935 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,0,0,0,0,1|2,0,0]=3 1936 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,0,0,0,0,1|2,0,0]=3 1937 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,0,0,0,0,1|2,0,0]=3 1938 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,0,0,0,0,1|2,0,0]=3 1939 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,0,0,0,0,1|2,0,0]=3 1940 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,0,0,0,0,1|2,0,0]=3 1941 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,0,0,0,0,1|2,0,0]=3 1942 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,0,0,0,0,1|3,0,0]=4 1943 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,0,0,0,0,1|3,0,0]=4 1944 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,0,0,0,0,1|3,0,0]=4 1945 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,0,0,0,0,1|3,0,0]=4 1946 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,0,0,0,0,1|3,0,0]=4 1947 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,0,0,0,0,1|3,0,0]=4 1948 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,0,0,0,0,1|1,0,0]=2 1949 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,0,0,0,1|1,0,0]=2 1950 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,0,0,0,0,1|1,0,0]=2 1951 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,0,0,0,0,1|1,0,0]=2 1952 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,0,0,0,0,1|1,0,0]=2 1953 B12R1.125 CC(=O)NNc1cccnc1C 22a_100000730703_100000070787 [0,0,0,0,0,1|2,0,0]=3 1954 B12R1.125 CC(=O)NNc1ccncc1Br 22a_100013404636_100000070787 [0,0,0,0,0,1|2,0,0]=3 1955 B12R1.125 CC(=O)NNc1ccncc1C 22a_100011935204_100000070787 [0,0,0,0,0,1|2,0,0]=3 1956 B12R1.125 CC(=O)NNc1ncccc1Br 22a_100011464834_100000070787 [0,0,0,0,0,1|2,0,0]=3 1957 B12R1.125 CC(=O)NNc1ncccc1C 22a_100000708268_100000070787 [0,0,0,0,0,1|2,0,0]=3 1958 B12R1.125 CC(=O)NNc1ncccc1Cl 22a_100000741667_100000070787 [0,0,0,0,0,1|2,0,0]=3 1959 B12R1.125 CC(=O)NNc1ncccc1F 22a_100000717775_100000070787 [0,0,0,0,0,1|2,0,0]=3 1960 B12R1.125 CC(=O)NNc1ncccc1I 22a_100010221029_100000070787 [0,0,0,0,0,1|2,0,0]=3 1961 B12R1.125 CC(=O)NNc1nccnc1Cl 22a_100000755098_100000070787 [0,0,0,0,0,1|3,0,0]=4 1962 B12R1.125 CC(=O)NNc1ncncc1C 22a_100000121387_100000070787 [0,0,0,0,0,1|3,0,0]=4 1963 B12R1.125 CC(=O)NNc1ncncc1Cl 22a_100000709255_100000070787 [0,0,0,0,0,1|3,0,0]=4 1964 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,0,0,0,0,1|2,0,1]=4 1965 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,0,0,0,0,1|2,0,1]=4 1966 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,0,0,0,0,1|2,0,1]=4 1967 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,0,0,0,0,1|2,0,1]=4 1968 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,0,0,0,0,1|2,0,1]=4 1969 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,0,0,0,0,1|1,0,1]=3 1970 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,0,0,0,0,1|2,0,1]=4 1971 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,0,0,0,0,1|2,0,1]=4 1972 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,0,0,0,0,1|2,0,1]=4 1973 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,0,0,0,0,1|2,0,1]=4 1974 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,0,0,0,0,1|2,0,1]=4 1975 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,0,0,0,0,1|2,0,1]=4 1976 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,0,0,0,0,1|2,0,1]=4 1977 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,0,0,0,0,1|2,0,1]=4 1978 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,0,0,0,0,1|2,0,1]=4 1979 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,0,0,0,0,1|2,0,1]=4 1980 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,0,0,0,0,1|2,0,1]=4 1981 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,0,0,0,0,1|2,0,1]=4 1982 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,0,0,0,0,1|2,0,1]=4 1983 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,0,0,0,0,1|2,0,1]=4 1984 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,0,0,0,0,1|2,0,1]=4 1985 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,0,0,0,0,1|2,0,1]=4 1986 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,0,0,0,0,1|2,0,1]=4 1987 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,0,0,0,0,1|2,0,1]=4 1988 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,0,0,0,0,1|2,0,1]=4 1989 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,0,0,0,0,1|1,0,1]=3 1990 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,0,0,0,0,1|1,0,1]=3 1991 B12R1.125 CC(C)NCc1cccnc1O 207a_100138425928_100011998315 [0,0,0,0,0,1|2,0,1]=4 1992 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,0,0,0,0,1|2,0,1]=4 1993 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,0,0,0,0,1|2,0,1]=4 1994 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,0,0,0,0,1|1,0,2]=4 1995 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,0,0,0,0,1|1,0,2]=4 1996 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,0,0,0,0,1|1,0,2]=4 1997 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,0,0,0,0,1|1,0,2]=4 1998 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,0,0,0,0,1|1,0,2]=4 1999 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,0,0,0,0,1|0,0,2]=3 2000 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,0,0,0,0,1|1,0,2]=4 2001 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,0,0,0,0,1|1,0,2]=4 2002 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,0,0,0,0,1|3,0,0]=4 2003 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,0,0,0,0,1|1,0,2]=4 2004 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,0,0,0,0,1|1,0,2]=4 2005 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,0,0,0,0,1|1,0,2]=4 2006 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,0,0,0,0,1|1,0,2]=4 2007 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,0,0,0,0,1|0,0,2]=3 2008 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,0,0,0,0,1|1,0,2]=4 2009 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,0,0,0,0,1|1,0,2]=4 2010 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,0,0,0,0,1|2,0,0]=3 2011 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,0,0,0,0,1|2,0,1]=4 2012 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,0,0,0,0,1|2,0,1]=4 2013 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,0,0,0,0,1|2,0,1]=4 2014 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,0,0,0,0,1|2,0,1]=4 2015 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,0,0,0,0,1|2,0,0]=3 2016 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,0,0,0,0,1|2,0,0]=3 2017 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,0,0,0,0,1|2,0,1]=4 2018 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,0,0,0,0,1|1,0,2]=4 2019 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,0,0,0,0,1|1,0,2]=4 2020 B12R1.125 Cc1ccccc1NC[N+](=O)[O-] 34a_100015192222_100000761209 [0,0,0,0,0,1|3,0,0]=4 2021 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,0,0,0,0,1|3,0,0]=4 2022 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,0,0,0,0,1|3,0,0]=4 2023 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,0,0,0,0,1|2,0,0]=3 2024 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,0,0,0,0,1|3,0,0]=4 2025 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,0,0,0,0,1|3,0,0]=4 2026 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,0,0,0,0,1|3,0,0]=4 2027 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,0,0,0,0,1|2,0,0]=3 2028 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,0,0,0,0,1|3,0,0]=4 2029 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,0,0,0,0,1|3,0,0]=4 2030 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,0,0,0,0,1|2,0,0]=3 2031 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,0,0,0,0,1|2,0,0]=3 2032 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,0,0,0,0,1|2,0,0]=3 2033 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,0,0,0,0,1|2,0,0]=3 2034 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,0,0,0,0,1|2,0,0]=3 2035 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,0,0,0,0,1|1,0,0]=2 2036 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,0,0,0,0,1|3,0,0]=4 2037 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,0,0,0,0,1|3,0,0]=4 2038 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,0,0,0,0,1|3,0,0]=4 2039 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,0,0,0,0,1|3,0,0]=4 2040 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,0,0,0,0,1|3,0,0]=4 2041 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,0,0,0,0,1|3,0,0]=4 2042 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,0,0,0,0,1|3,0,0]=4 2043 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,0,0,0,0,1|3,0,0]=4 2044 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,0,0,0,0,1|3,0,0]=4 2045 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,0,0,0,0,1|3,0,0]=4 2046 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,0,0,0,0,1|2,0,0]=3 2047 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,0,0,0,0,1|3,0,0]=4 2048 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,0,0,0,0,1|3,0,0]=4 2049 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,0,0,0,0,1|3,0,0]=4 2050 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,0,0,0,0,1|3,0,0]=4 2051 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,0,0,0,0,1|3,0,0]=4 2052 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,0,0,0,0,1|3,0,0]=4 2053 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,0,0,0,0,1|3,0,0]=4 2054 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,0,0,0,0,1|3,0,0]=4 2055 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,0,0,0,0,1|2,0,0]=3 2056 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,0,0,0,0,1|2,0,0]=3 2057 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000747473_100000760158 [0,0,0,0,0,1|3,0,0]=4 2058 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000760158_100000747473 [0,0,0,0,0,1|3,0,0]=4 2059 B12R1.125 NC(=O)CSc1ccncc1O 62a_100000747473_100009817591 [0,0,0,0,0,1|3,0,0]=4 2060 B12R1.125 NC(=O)CSc1ccncc1O 62a_100009817591_100000747473 [0,0,0,0,0,1|3,0,0]=4 2061 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000034122_100000747473 [0,0,0,0,0,1|3,0,0]=4 2062 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000747473_100000034122 [0,0,0,0,0,1|3,0,0]=4 2063 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,0,0,0,0,1|3,0,0]=4 2064 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,0,0,0,0,1|3,0,0]=4 2065 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,0,0,0,0,1|3,0,0]=4 2066 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,0,0,0,0,1|2,0,0]=3 2067 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,0,0,0,0,1|2,0,0]=3 2068 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,0,0,0,0,1|2,0,0]=3 2069 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,0,0,0,0,1|2,0,0]=3 2070 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,0,0,0,0,1|1,0,0]=2 2071 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,0,0,0,0,1|3,0,0]=4 2072 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,0,0,0,0,1|3,0,0]=4 2073 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,0,0,0,0,1|3,0,0]=4 2074 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,0,0,0,0,1|3,0,0]=4 2075 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,0,0,0,0,1|3,0,0]=4 2076 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,0,0,0,0,1|3,0,0]=4 2077 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,0,0,0,0,1|3,0,0]=4 2078 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,0,0,0,0,1|3,0,0]=4 2079 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,0,0,0,0,1|3,0,0]=4 2080 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,0,0,0,0,1|3,0,0]=4 2081 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,0,0,0,0,1|2,0,0]=3 2082 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,0,0,0,0,1|2,0,0]=3 2083 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100000760158_100020667443 [0,0,0,0,0,1|3,0,0]=4 2084 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100020667443_100000760158 [0,0,0,0,0,1|3,0,0]=4 2085 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100009817591_100020667443 [0,0,0,0,0,1|3,0,0]=4 2086 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100020667443_100009817591 [0,0,0,0,0,1|3,0,0]=4 2087 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100000034122_100020667443 [0,0,0,0,0,1|3,0,0]=4 2088 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100020667443_100000034122 [0,0,0,0,0,1|3,0,0]=4 2089 B12R1.125 O=[N+]([O-])CNc1ccccc1Br 34a_100000210017_100000761209 [0,0,0,0,0,1|3,0,0]=4 2090 B12R1.125 O=[N+]([O-])CNc1ccccc1Cl 34a_100000185783_100000761209 [0,0,0,0,0,1|3,0,0]=4 2091 B12R1.125 O=[N+]([O-])CNc1ccccc1F 34a_100000210422_100000761209 [0,0,0,0,0,1|3,0,0]=4 2092 B12R1.125 O=[N+]([O-])CNc1ccccc1I 34a_100000210053_100000761209 [0,0,0,0,0,1|3,0,0]=4 2093 B12R1.125 O=[N+]([O-])CNc1ccccc1O 34a_100000185747_100000761209 [0,0,0,0,0,1|2,0,0]=3 2094 B12R1.125 O=[N+]([O-])CSc1ccccc1O 62a_100000739446_100000761209 [0,0,0,0,0,1|3,0,0]=4 2095 B12R1.125 Oc1ccccc1NCC(F)F 34a_100000185747_100011934356 [0,0,0,0,0,1|2,0,1]=4 2096 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,0,0,0,0,1|2,0,0]=3 2097 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,0,0,0,0,1|2,0,0]=3 2098 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,0,0,0,0,1|2,0,0]=3 2099 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,0,0,0,0,1|2,0,0]=3 2100 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,0,0,0,1|1,0,0]=2 2101 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,0,0,0,0,1|2,0,0]=3 2102 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,0,0,0,0,1|2,0,0]=3 2103 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,0,0,0,0,1|2,0,0]=3 2104 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,0,0,0,0,1|2,0,0]=3 2105 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,0,0,0,0,1|1,0,0]=2 2106 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,0,0,0,0,1|2,0,1]=4 2107 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,0,0,0,0,1|2,0,0]=3 2108 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,0,0,0,0,1|2,0,0]=3 2109 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,0,0,0,0,1|2,0,0]=3 2110 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,0,0,0,0,1|1,0,0]=2 2111 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,0,0,0,0,1|2,0,0]=3 2112 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,0,0,0,0,1|1,0,0]=2 2113 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,0]=3 2114 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|2,0,0]=4 2115 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|2,0,0]=4 2116 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|2,0,0]=4 2117 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|0,0,1]=3 2118 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 2119 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 2120 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,1]=4 2121 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,1]=4 2122 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 2123 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 2124 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 2125 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 2126 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 2127 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 2128 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 2129 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 2130 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 2131 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 2132 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 2133 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 2134 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|1,0,1]=4 2135 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 2136 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 2137 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 2138 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 2139 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 2140 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 2141 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,0,0,0,0,0|1,0,1]=4 2142 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|1,0,1]=4 2143 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|1,0,1]=4 2144 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,0,0,0,0,0|1,0,1]=4 2145 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|1,0,1]=4 2146 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|0,0,1]=3 2147 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,0,0,0,0,0|1,0,1]=4 2148 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,0,0,0,0,0|1,0,1]=4 2149 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|0,0,1]=3 2150 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|1,0,1]=4 2151 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|1,0,1]=4 2152 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|1,0,1]=4 2153 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|1,0,0]=3 2154 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|1,0,0]=3 2155 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|1,0,0]=3 2156 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|1,0,0]=3 2157 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|1,0,0]=3 2158 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|0,0,0]=2 2159 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|0,0,0]=2 2160 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|1,0,0]=3 2161 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [2,0,0,0,0,0|2,0,0]=4 2162 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [2,0,0,0,0,0|2,0,0]=4 2163 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [2,0,0,0,0,0|2,0,0]=4 2164 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|1,0,0]=3 2165 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [2,0,0,0,0,0|2,0,0]=4 2166 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|1,0,0]=3 2167 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [2,0,0,0,0,0|2,0,0]=4 2168 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [2,0,0,0,0,0|2,0,0]=4 2169 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2170 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2171 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 2172 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 2173 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2174 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2175 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|2,0,0]=4 2176 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|2,0,0]=4 2177 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 2178 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 2179 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 2180 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 2181 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|1,0,0]=3 2182 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|2,0,0]=4 2183 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [2,0,0,0,0,0|2,0,0]=4 2184 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [2,0,0,0,0,0|2,0,0]=4 2185 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|2,0,0]=4 2186 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|2,0,0]=4 2187 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|2,0,0]=4 2188 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|2,0,0]=4 2189 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|2,0,0]=4 2190 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|2,0,0]=4 2191 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|2,0,0]=4 2192 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|2,0,0]=4 2193 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|2,0,0]=4 2194 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 2195 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|2,0,0]=4 2196 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|1,0,0]=3 2197 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2198 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|1,0,0]=3 2199 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|2,0,0]=4 2200 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|2,0,0]=4 2201 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [2,0,0,0,0,0|2,0,0]=4 2202 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [2,0,0,0,0,0|2,0,0]=4 2203 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|2,0,0]=4 2204 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2205 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|2,0,0]=4 2206 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|1,0,0]=3 2207 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 2208 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 2209 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|2,0,0]=4 2210 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|2,0,0]=4 2211 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|1,0,1]=4 2212 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|1,0,1]=4 2213 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|1,0,0]=3 2214 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [2,0,0,0,0,0|2,0,0]=4 2215 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [2,0,0,0,0,0|2,0,0]=4 2216 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|0,0,0]=2 2217 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|1,0,0]=3 2218 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|1,0,0]=3 2219 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|1,0,0]=3 2220 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|1,0,0]=3 2221 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|0,0,2]=4 2222 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|1,0,0]=3 2223 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|1,0,0]=3 2224 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|1,0,0]=3 2225 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|1,0,0]=3 2226 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|0,0,0]=2 2227 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2228 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2229 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2230 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2231 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|2,0,0]=4 2232 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|2,0,0]=4 2233 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 2234 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 2235 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 2236 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 2237 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|2,0,0]=4 2238 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|2,0,0]=4 2239 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|2,0,0]=4 2240 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|2,0,0]=4 2241 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|2,0,0]=4 2242 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|2,0,0]=4 2243 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 2244 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|2,0,0]=4 2245 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 2246 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|1,0,0]=3 2247 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|2,0,0]=4 2248 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|2,0,0]=4 2249 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [2,0,0,0,0,0|2,0,0]=4 2250 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [2,0,0,0,0,0|2,0,0]=4 2251 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 2252 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|2,0,0]=4 2253 B11R0.40 CC=CC=CC=NNC(=O)CC 4a_100000183195_100000691131 [0,1,1,0,0,0|2,0,0]=4 2254 B11R0.46 C/C=C/C=CC(=NNC(=O)C)C 4a_100000189765_100016268696 [0,1,1,0,0,0|2,0,0]=4 2255 B11R0.46 C/C=C/C=CC(=O)NNC(=O)C 22a_100000189765_100000185730 [0,1,1,0,0,0|2,0,0]=4 2256 B11R0.148 CCC=CC=CC=NNC(=O)C 4a_100000189765_100103038579 [0,1,1,0,0,0|1,0,1]=4 2257 B11R0.68 C=CCNC(=O)C(=C)NC(=O)C 240690a_100020586998_100000758921 [0,1,1,0,0,0|0,0,2]=4 2258 B11R0.70 C=CC=CC(=O)NNC(=O)CC 22a_100000183195_100016291481 [0,1,1,0,0,0|1,0,1]=4 2259 B11R1.13 CC=Cc1cccc(c1Br)O 271570a_100016259895_100010187914 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.13 CC=Cc1cccc(c1C)Br 271570a_100016259895_100012353703 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.13 CC=Cc1cccc(c1C)C 271570a_100016259895_100011214922 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.13 CC=Cc1cccc(c1C)Cl 271570a_100016259895_100000726075 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.13 CC=Cc1cccc(c1C)F 271570a_100016259895_100011216893 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.13 CC=Cc1cccc(c1C)N 271570a_100016259895_100000761887 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [1,1,0,0,0,0|2,0,0]=4 2266 B11R1.13 CC=Cc1cccc(c1Cl)Br 271570a_100016259895_100010142854 [1,1,0,0,0,0|2,0,0]=4 2267 B11R1.13 CC=Cc1cccc(c1Cl)C 271570a_100016259895_200012352035 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.13 CC=Cc1cccc(c1Cl)Cl 271570a_100016259895_100011215384 [1,1,0,0,0,0|2,0,0]=4 2269 B11R1.13 CC=Cc1cccc(c1Cl)F 271570a_100016259895_200010234923 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.13 CC=Cc1cccc(c1Cl)O 271570a_100016259895_100000049636 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.13 CC=Cc1cccc(c1F)Br 271570a_100016259895_100000702267 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.13 CC=Cc1cccc(c1F)C 271570a_100016259895_100000717567 [1,1,0,0,0,0|2,0,0]=4 2273 B11R1.13 CC=Cc1cccc(c1F)Cl 271570a_100016259895_100011217346 [1,1,0,0,0,0|2,0,0]=4 2274 B11R1.13 CC=Cc1cccc(c1F)F 271570a_100016259895_100000694657 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.13 CC=Cc1cccc(c1F)N 271570a_100016259895_100011935091 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.13 CC=Cc1cccc(c1F)O 271570a_100016259895_100009817021 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.13 CC=Cc1cccc(c1N)Br 271570a_100016259895_100010146558 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.13 CC=Cc1cccc(c1N)C 271570a_100016259895_100011834072 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.13 CC=Cc1cccc(c1N)Cl 271570a_100016259895_100010190421 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.13 CC=Cc1cccc(c1N)F 271570a_100016259895_100000042321 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.13 CC=Cc1cccc(c1N)N 271570a_100016259895_100015191791 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.13 CC=Cc1cccc(c1N)O 271570a_100016259895_100011934926 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.13 CC=Cc1cccc(c1O)Br 271570a_100016259895_100010084509 [1,1,0,0,0,0|1,0,0]=3 2284 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.13 CC=Cc1cccc(c1O)Cl 271570a_100016259895_100010202889 [1,1,0,0,0,0|1,0,0]=3 2286 B11R1.13 CC=Cc1cccc(c1O)F 271570a_100016259895_100009813666 [1,1,0,0,0,0|1,0,0]=3 2287 B11R1.13 CC=Cc1cccc(c1O)N 271570a_100016259895_100011934915 [1,1,0,0,0,0|1,0,0]=3 2288 B11R1.13 CC=Cc1cccc(c1O)O 271570a_100016259895_100009815950 [1,1,0,0,0,0|1,0,0]=3 2289 B11R1.13 CC=Cc1nccc(c1O)C 271570a_100016259895_100000696282 [1,1,0,0,0,0|2,0,0]=4 2290 B11R1.13 CC=Cc1nccc(c1O)F 271570a_100016259895_100009867227 [1,1,0,0,0,0|2,0,0]=4 2291 B11R1.13 CCNc1cccc(c1Br)C 34a_100000684715_100000210202 [1,1,0,0,0,0|1,0,1]=4 2292 B11R1.13 CCNc1cccc(c1Br)Cl 34a_100000687072_100000210202 [1,1,0,0,0,0|1,0,1]=4 2293 B11R1.13 CCNc1cccc(c1Br)F 34a_100011934729_100000210202 [1,1,0,0,0,0|1,0,1]=4 2294 B11R1.13 CCNc1cccc(c1Br)O 34a_100012183704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2295 B11R1.13 CCNc1cccc(c1Br)O 7a_100012183704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2296 B11R1.13 CCNc1cccc(c1C)Br 34a_100000750434_100000210202 [1,1,0,0,0,0|1,0,1]=4 2297 B11R1.13 CCNc1cccc(c1C)C 2230a_100000210026_100000210202 [1,1,0,0,0,0|1,0,1]=4 2298 B11R1.13 CCNc1cccc(c1C)C 34a_100000210026_100000210202 [1,1,0,0,0,0|1,0,1]=4 2299 B11R1.13 CCNc1cccc(c1C)C 7a_100000210026_100000210202 [1,1,0,0,0,0|1,0,1]=4 2300 B11R1.13 CCNc1cccc(c1C)Cl 2230a_100000210441_100000210202 [1,1,0,0,0,0|1,0,1]=4 2301 B11R1.13 CCNc1cccc(c1C)Cl 34a_100000210441_100000210202 [1,1,0,0,0,0|1,0,1]=4 2302 B11R1.13 CCNc1cccc(c1C)Cl 7a_100000210441_100000210202 [1,1,0,0,0,0|1,0,1]=4 2303 B11R1.13 CCNc1cccc(c1C)F 34a_100000745574_100000210202 [1,1,0,0,0,0|1,0,1]=4 2304 B11R1.13 CCNc1cccc(c1C)F 7a_100000745574_100000210202 [1,1,0,0,0,0|1,0,1]=4 2305 B11R1.13 CCNc1cccc(c1C)I 34a_100000761887_100000210202 [1,1,0,0,0,0|1,0,1]=4 2306 B11R1.13 CCNc1cccc(c1C)O 34a_100011216573_100000210202 [1,1,0,0,0,0|1,0,1]=4 2307 B11R1.13 CCNc1cccc(c1C)O 7a_100011216573_100000210202 [1,1,0,0,0,0|1,0,1]=4 2308 B11R1.13 CCNc1cccc(c1Cl)Br 34a_100000687075_100000210202 [1,1,0,0,0,0|1,0,1]=4 2309 B11R1.13 CCNc1cccc(c1Cl)C 34a_100000765562_100000210202 [1,1,0,0,0,0|1,0,1]=4 2310 B11R1.13 CCNc1cccc(c1Cl)C 7a_100000765562_100000210202 [1,1,0,0,0,0|1,0,1]=4 2311 B11R1.13 CCNc1cccc(c1Cl)Cl 34a_100000185733_100000210202 [1,1,0,0,0,0|1,0,1]=4 2312 B11R1.13 CCNc1cccc(c1Cl)F 34a_100000692321_100000210202 [1,1,0,0,0,0|1,0,1]=4 2313 B11R1.13 CCNc1cccc(c1Cl)O 34a_100012002038_100000210202 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.13 CCNc1cccc(c1Cl)O 7a_100012002038_100000210202 [1,1,0,0,0,0|1,0,1]=4 2315 B11R1.13 CCNc1cccc(c1F)Br 2230a_100011935091_100000210202 [1,1,0,0,0,0|1,0,1]=4 2316 B11R1.13 CCNc1cccc(c1F)Br 34a_100011935091_100000210202 [1,1,0,0,0,0|1,0,1]=4 2317 B11R1.13 CCNc1cccc(c1F)C 2230a_100000697159_100000210202 [1,1,0,0,0,0|1,0,1]=4 2318 B11R1.13 CCNc1cccc(c1F)C 34a_100000697159_100000210202 [1,1,0,0,0,0|1,0,1]=4 2319 B11R1.13 CCNc1cccc(c1F)C 7a_100000697159_100000210202 [1,1,0,0,0,0|1,0,1]=4 2320 B11R1.13 CCNc1cccc(c1F)Cl 2230a_100000199060_100000210202 [1,1,0,0,0,0|1,0,1]=4 2321 B11R1.13 CCNc1cccc(c1F)Cl 34a_100000199060_100000210202 [1,1,0,0,0,0|1,0,1]=4 2322 B11R1.13 CCNc1cccc(c1F)F 34a_100000743855_100000210202 [1,1,0,0,0,0|1,0,1]=4 2323 B11R1.13 CCNc1cccc(c1I)Br 34a_100020590159_100000210202 [1,1,0,0,0,0|1,0,1]=4 2324 B11R1.13 CCNc1cccc(c1I)C 34a_100000761888_100000210202 [1,1,0,0,0,0|1,0,1]=4 2325 B11R1.13 CCNc1cccc(c1I)Cl 34a_100000049713_100000210202 [1,1,0,0,0,0|1,0,1]=4 2326 B11R1.13 CCNc1cccc(c1I)F 34a_100000690935_100000210202 [1,1,0,0,0,0|1,0,1]=4 2327 B11R1.13 CCNc1cccc(c1O)Br 34a_100011934915_100000210202 [1,1,0,0,0,0|0,0,1]=3 2328 B11R1.13 CCNc1cccc(c1O)C 34a_100000756359_100000210202 [1,1,0,0,0,0|0,0,1]=3 2329 B11R1.13 CCNc1cccc(c1O)Cl 34a_100000754742_100000210202 [1,1,0,0,0,0|0,0,1]=3 2330 B11R1.13 CCNc1cccc(c1O)F 34a_100011934987_100000210202 [1,1,0,0,0,0|0,0,1]=3 2331 B11R1.13 CCSc1cccc(c1O)Br 62a_100000210202_100010084509 [1,1,0,0,0,0|1,0,1]=4 2332 B11R1.13 CCSc1cccc(c1O)Br 62a_100010084509_100000210202 [1,1,0,0,0,0|1,0,1]=4 2333 B11R1.13 CCSc1cccc(c1O)C 62a_100000210202_100009817157 [1,1,0,0,0,0|1,0,1]=4 2334 B11R1.13 CCSc1cccc(c1O)C 62a_100009817157_100000210202 [1,1,0,0,0,0|1,0,1]=4 2335 B11R1.13 CCSc1cccc(c1O)Cl 62a_100000210202_100010202889 [1,1,0,0,0,0|1,0,1]=4 2336 B11R1.13 CCSc1cccc(c1O)Cl 62a_100010202889_100000210202 [1,1,0,0,0,0|1,0,1]=4 2337 B11R1.13 CCSc1cccc(c1O)F 62a_100000210202_100009813666 [1,1,0,0,0,0|1,0,1]=4 2338 B11R1.13 CCSc1cccc(c1O)F 62a_100009813666_100000210202 [1,1,0,0,0,0|1,0,1]=4 2339 B11R1.13 CCSc1cccc(c1O)N 62a_100000210202_100010084371 [1,1,0,0,0,0|1,0,1]=4 2340 B11R1.13 CCSc1cccc(c1O)N 62a_100011934915_100000210202 [1,1,0,0,0,0|1,0,1]=4 2341 B11R1.13 CCSc1cccc(c1O)O 62a_100000210202_100009815950 [1,1,0,0,0,0|1,0,1]=4 2342 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.13 Cc1cccc(c1O)NCF 34a_100000756359_100015361967 [1,1,0,0,0,0|1,0,1]=4 2345 B11R1.13 Oc1c(cccc1NCF)Br 34a_100011934915_100015361967 [1,1,0,0,0,0|1,0,1]=4 2346 B11R1.13 Oc1c(cccc1NCF)Cl 34a_100000754742_100015361967 [1,1,0,0,0,0|1,0,1]=4 2347 B11R1.13 Oc1c(cccc1NCF)F 34a_100011934987_100015361967 [1,1,0,0,0,0|1,0,1]=4 2348 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [1,1,0,0,0,0|0,0,2]=4 2349 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [1,1,0,0,0,0|1,0,1]=4 2350 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [1,1,0,0,0,0|1,0,1]=4 2351 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [1,1,0,0,0,0|1,0,1]=4 2352 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [1,1,0,0,0,0|1,0,1]=4 2353 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [1,1,0,0,0,0|1,0,1]=4 2354 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [1,1,0,0,0,0|0,0,1]=3 2355 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [1,1,0,0,0,0|1,0,1]=4 2356 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [1,1,0,0,0,0|1,0,1]=4 2357 B11R1.17 CC=NNc1ccccc1Br 4a_100000241748_200000210099 [1,1,0,0,0,0|1,0,0]=3 2358 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [1,1,0,0,0,0|1,0,0]=3 2359 B11R1.17 CC=NNc1ccccc1Cl 4a_100000683529_200000210099 [1,1,0,0,0,0|1,0,0]=3 2360 B11R1.17 CC=NNc1ccccc1F 4a_100000239246_200000210099 [1,1,0,0,0,0|1,0,0]=3 2361 B11R1.17 CC=NNc1ccccc1I 4a_100011218156_200000210099 [1,1,0,0,0,0|1,0,0]=3 2362 B11R1.17 CC=NNc1cccnc1C 4a_100000730703_200000210099 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.17 CC=NNc1ccncc1Br 4a_100013404636_200000210099 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.17 CC=NNc1ccncc1C 4a_100011935204_200000210099 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.17 CC=NNc1ncccc1Br 4a_100011464834_200000210099 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.17 CC=NNc1ncccc1C 4a_100000708268_200000210099 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.17 CC=NNc1ncccc1Cl 4a_100000741667_200000210099 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.17 CC=NNc1ncccc1F 4a_100000717775_200000210099 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.17 CC=NNc1ncccc1I 4a_100010221029_200000210099 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|1,0,1]=4 2373 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|1,0,1]=4 2374 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|1,0,1]=4 2375 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|0,0,1]=3 2377 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|1,0,1]=4 2378 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|1,0,1]=4 2379 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|1,0,1]=4 2381 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|1,0,1]=4 2382 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|1,0,1]=4 2383 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|1,0,1]=4 2384 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|1,0,1]=4 2385 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|1,0,1]=4 2386 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|1,0,1]=4 2387 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|1,0,1]=4 2388 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|1,0,1]=4 2389 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|1,0,1]=4 2390 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|1,0,1]=4 2391 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|1,0,1]=4 2392 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|1,0,1]=4 2393 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|1,0,1]=4 2394 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|1,0,1]=4 2395 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|1,0,1]=4 2396 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|1,0,1]=4 2399 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|1,0,1]=4 2400 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|1,0,1]=4 2401 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|0,0,1]=3 2402 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [1,1,0,0,0,0|1,0,1]=4 2403 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [1,1,0,0,0,0|1,0,1]=4 2404 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|1,0,1]=4 2405 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|1,0,1]=4 2406 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|1,0,1]=4 2407 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|1,0,1]=4 2408 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|1,0,1]=4 2409 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,1]=4 2410 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|1,0,1]=4 2411 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|1,0,1]=4 2412 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|1,0,1]=4 2413 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|1,0,1]=4 2414 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|1,0,1]=4 2415 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [1,1,0,0,0,0|1,0,1]=4 2416 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [1,1,0,0,0,0|1,0,1]=4 2417 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [1,1,0,0,0,0|1,0,1]=4 2418 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [1,1,0,0,0,0|1,0,1]=4 2419 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [1,1,0,0,0,0|1,0,1]=4 2420 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [1,1,0,0,0,0|0,0,1]=3 2421 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [1,1,0,0,0,0|1,0,1]=4 2422 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [1,1,0,0,0,0|1,0,1]=4 2423 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,1,0,0,0,0|1,0,0]=3 2424 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|1,0,1]=4 2425 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|2,0,0]=4 2427 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|1,0,1]=4 2431 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|1,0,1]=4 2432 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|1,0,1]=4 2433 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|1,0,1]=4 2434 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|1,0,1]=4 2435 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,1,0,0,0,0|2,0,0]=4 2437 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,1,0,0,0,0|2,0,0]=4 2438 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|1,0,0]=3 2440 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,1,0,0,0,0|1,0,0]=3 2441 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,1,0,0,0,0|1,0,0]=3 2442 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,1,0,0,0,0|1,0,0]=3 2443 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,1,0,0,0,0|1,0,0]=3 2444 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,1,0,0,0,0|0,0,0]=2 2445 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,1,0,0,0,0|2,0,0]=4 2453 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,1,0,0,0,0|2,0,0]=4 2454 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,1,0,0,0,0|1,0,0]=3 2460 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,1,0,0,0,0|1,0,0]=3 2461 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [1,1,0,0,0,0|2,0,0]=4 2462 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [1,1,0,0,0,0|2,0,0]=4 2465 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [1,1,0,0,0,0|2,0,0]=4 2466 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [1,1,0,0,0,0|2,0,0]=4 2467 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|1,0,1]=4 2468 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,1]=4 2469 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|1,0,1]=4 2470 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|1,0,1]=4 2471 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|1,0,1]=4 2472 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|1,0,1]=4 2473 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|0,0,1]=3 2474 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [1,1,0,0,0,0|1,0,1]=4 2475 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|1,0,1]=4 2476 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|1,0,1]=4 2477 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|1,0,1]=4 2478 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|1,0,1]=4 2479 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|1,0,1]=4 2480 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|0,0,1]=3 2481 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|1,0,1]=4 2482 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|1,0,1]=4 2483 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|1,0,1]=4 2484 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|1,0,1]=4 2486 B11R1.41 C#Cc1ccccc1NCC 34a_100011470550_100000210202 [1,1,0,0,0,0|1,0,1]=4 2487 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,1,0,0,0,0|1,0,0]=3 2488 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,1,0,0,0,0|1,0,0]=3 2489 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,1,0,0,0,0|1,0,0]=3 2490 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,1,0,0,0,0|1,0,0]=3 2491 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [1,1,0,0,0,0|1,0,1]=4 2492 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [1,1,0,0,0,0|1,0,1]=4 2493 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [1,1,0,0,0,0|1,0,1]=4 2494 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [1,1,0,0,0,0|1,0,1]=4 2495 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [1,1,0,0,0,0|1,0,1]=4 2496 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [1,1,0,0,0,0|1,0,1]=4 2497 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [1,1,0,0,0,0|2,0,0]=4 2498 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,1,0,0,0,0|1,0,1]=4 2499 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [1,1,0,0,0,0|1,0,0]=3 2502 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [1,1,0,0,0,0|2,0,0]=4 2503 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,1,0,0,0,0|2,0,0]=4 2504 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,1,0,0,0,0|1,0,0]=3 2505 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [1,1,0,0,0,0|1,1,0]=4 2506 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,1,0,0,0,0|2,0,0]=4 2508 B11R1.41 CC=Cc1ccncc1CO 271570a_100016259895_100000117392 [1,1,0,0,0,0|2,0,0]=4 2509 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [1,1,0,0,0,0|2,0,0]=4 2510 B11R1.41 CC=Cc1cnccc1CO 271570a_100016259895_100009873359 [1,1,0,0,0,0|2,0,0]=4 2511 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [1,1,0,0,0,0|2,0,0]=4 2512 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [1,1,0,0,0,0|2,0,0]=4 2513 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,1,0,0,0,0|1,0,1]=4 2515 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,1,0,0,0,0|1,0,1]=4 2516 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B11R1.41 CCNc1ccccc1C#N 34a_100000211148_100000210202 [1,1,0,0,0,0|1,0,1]=4 2519 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [1,1,0,0,0,0|1,0,1]=4 2520 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [1,1,0,0,0,0|1,0,1]=4 2521 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [1,1,0,0,0,0|1,0,1]=4 2522 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [1,1,0,0,0,0|0,0,1]=3 2523 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,1,0,0,0,0|0,0,1]=3 2524 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,1,0,0,0,0|0,0,1]=3 2525 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,1,0,0,0,0|0,0,1]=3 2526 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,1,0,0,0,0|0,0,1]=3 2527 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,1,0,0,0,0|0,0,1]=3 2528 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [1,1,0,0,0,0|0,1,1]=4 2529 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [1,1,0,0,0,0|0,1,1]=4 2530 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [1,1,0,0,0,0|0,1,1]=4 2531 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [1,1,0,0,0,0|0,1,1]=4 2532 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [1,1,0,0,0,0|0,1,1]=4 2533 B11R1.41 CCNc1ccncc1CO 27a_100015525214_100000117392 [1,1,0,0,0,0|1,0,1]=4 2534 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [1,1,0,0,0,0|1,0,1]=4 2535 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,1,0,0,0,0|1,0,1]=4 2536 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,1,0,0,0,0|1,0,1]=4 2537 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,1,0,0,0,0|1,0,1]=4 2538 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,1,0,0,0,0|1,0,1]=4 2539 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,1,0,0,0,0|1,0,1]=4 2540 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [1,1,0,0,0,0|1,0,1]=4 2541 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [1,1,0,0,0,0|1,0,1]=4 2542 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,1,0,0,0,0|1,0,1]=4 2543 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,1,0,0,0,0|1,0,1]=4 2544 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [1,1,0,0,0,0|2,0,0]=4 2545 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [1,1,0,0,0,0|2,0,0]=4 2546 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [1,1,0,0,0,0|2,0,0]=4 2547 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,1,0,0,0,0|2,0,0]=4 2548 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,1,0,0,0,0|2,0,0]=4 2549 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,1,0,0,0,0|2,0,0]=4 2550 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 2552 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,1,0,0,0,0|2,0,0]=4 2554 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2557 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [1,1,0,0,0,0|2,0,0]=4 2558 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [1,1,0,0,0,0|2,0,0]=4 2559 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [1,1,0,0,0,0|2,0,0]=4 2560 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [1,1,0,0,0,0|2,0,0]=4 2561 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [1,1,0,0,0,0|2,0,0]=4 2562 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,1,0,0,0,0|2,0,0]=4 2563 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2564 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [1,1,0,0,0,0|2,0,0]=4 2565 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [1,1,0,0,0,0|2,0,0]=4 2566 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [1,1,0,0,0,0|2,0,0]=4 2567 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [1,1,0,0,0,0|2,0,0]=4 2568 B11R1.41 COc1ccccc1NCF 34a_100000210025_100015361967 [1,1,0,0,0,0|1,0,1]=4 2569 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [1,1,0,0,0,0|2,0,0]=4 2570 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [1,1,0,0,0,0|2,0,0]=4 2571 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,1,0,0,0,0|0,1,0]=3 2572 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,1,0,0,0,0|0,1,0]=3 2573 B11R1.41 OCc1ccccc1NCF 34a_100000212039_100015361967 [1,1,0,0,0,0|1,0,1]=4 2574 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [1,1,0,0,0,0|2,0,0]=4 2576 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,1,0,0,0,0|0,1,0]=3 2577 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,1,0,0,0,0|0,1,0]=3 2578 B11R1.81 CC=Cc1ccc(cc1Br)Br 271570a_100016259895_100011484698 [1,1,0,0,0,0|2,0,0]=4 2579 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [1,1,0,0,0,0|2,0,0]=4 2580 B11R1.81 CC=Cc1ccc(cc1Br)Cl 271570a_100016259895_100011219703 [1,1,0,0,0,0|2,0,0]=4 2581 B11R1.81 CC=Cc1ccc(cc1Br)F 271570a_100016259895_100011217111 [1,1,0,0,0,0|2,0,0]=4 2582 B11R1.81 CC=Cc1ccc(cc1Br)N 271570a_100016259895_100000750458 [1,1,0,0,0,0|2,0,0]=4 2583 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.81 CC=Cc1ccc(cc1C)Br 271570a_100016259895_100000701812 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [1,1,0,0,0,0|2,0,0]=4 2587 B11R1.81 CC=Cc1ccc(cc1C)F 271570a_100016259895_100011205405 [1,1,0,0,0,0|2,0,0]=4 2588 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [1,1,0,0,0,0|2,0,0]=4 2589 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,1,0,0,0,0|2,0,0]=4 2590 B11R1.81 CC=Cc1ccc(cc1Cl)Br 271570a_100016259895_100011216062 [1,1,0,0,0,0|2,0,0]=4 2591 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [1,1,0,0,0,0|2,0,0]=4 2592 B11R1.81 CC=Cc1ccc(cc1Cl)Cl 271570a_100016259895_100000699841 [1,1,0,0,0,0|2,0,0]=4 2593 B11R1.81 CC=Cc1ccc(cc1Cl)F 271570a_100016259895_100000733362 [1,1,0,0,0,0|2,0,0]=4 2594 B11R1.81 CC=Cc1ccc(cc1Cl)N 271570a_100016259895_100000761885 [1,1,0,0,0,0|2,0,0]=4 2595 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|2,0,0]=4 2596 B11R1.81 CC=Cc1ccc(cc1F)Br 271570a_100016259895_100009814013 [1,1,0,0,0,0|2,0,0]=4 2597 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [1,1,0,0,0,0|2,0,0]=4 2598 B11R1.81 CC=Cc1ccc(cc1F)Cl 271570a_100016259895_100011216042 [1,1,0,0,0,0|2,0,0]=4 2599 B11R1.81 CC=Cc1ccc(cc1F)F 271570a_100016259895_100000750030 [1,1,0,0,0,0|2,0,0]=4 2600 B11R1.81 CC=Cc1ccc(cc1F)N 271570a_100016259895_100011356925 [1,1,0,0,0,0|2,0,0]=4 2601 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,1,0,0,0,0|2,0,0]=4 2602 B11R1.81 CC=Cc1ccc(cc1N)Br 271570a_100016259895_100000743836 [1,1,0,0,0,0|2,0,0]=4 2603 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [1,1,0,0,0,0|2,0,0]=4 2604 B11R1.81 CC=Cc1ccc(cc1N)Cl 271570a_100016259895_100000761886 [1,1,0,0,0,0|2,0,0]=4 2605 B11R1.81 CC=Cc1ccc(cc1N)F 271570a_100016259895_100011218093 [1,1,0,0,0,0|2,0,0]=4 2606 B11R1.81 CC=Cc1ccc(cc1N)N 271570a_100016259895_200012175722 [1,1,0,0,0,0|2,0,0]=4 2607 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,1,0,0,0,0|2,0,0]=4 2608 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [1,1,0,0,0,0|1,0,0]=3 2609 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|1,0,0]=3 2610 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [1,1,0,0,0,0|1,0,0]=3 2611 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [1,1,0,0,0,0|1,0,0]=3 2612 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|1,0,0]=3 2613 B11R1.81 CC=Cc1ccc(nc1O)C 271570a_100016259895_100009817604 [1,1,0,0,0,0|2,0,0]=4 2614 B11R1.81 CC=Cc1cnc(cc1O)C 271570a_100016259895_100011016184 [1,1,0,0,0,0|2,0,0]=4 2615 B11R1.81 CC=Cc1ncc(cc1O)Br 271570a_100016259895_100010210634 [1,1,0,0,0,0|2,0,0]=4 2616 B11R1.81 CC=Cc1ncc(cc1O)C 271570a_100016259895_100012000487 [1,1,0,0,0,0|2,0,0]=4 2617 B11R1.81 CC=Cc1ncc(cc1O)Cl 271570a_100016259895_100010233512 [1,1,0,0,0,0|2,0,0]=4 2618 B11R1.81 CC=Cc1ncc(cc1O)F 271570a_100016259895_100000079967 [1,1,0,0,0,0|2,0,0]=4 2619 B11R1.81 CCNc1ccc(cc1Br)Br 34a_100000211012_100000210202 [1,1,0,0,0,0|1,0,1]=4 2620 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [1,1,0,0,0,0|1,0,1]=4 2621 B11R1.81 CCNc1ccc(cc1Br)Cl 34a_100000752454_100000210202 [1,1,0,0,0,0|1,0,1]=4 2622 B11R1.81 CCNc1ccc(cc1Br)F 34a_100000738039_100000210202 [1,1,0,0,0,0|1,0,1]=4 2623 B11R1.81 CCNc1ccc(cc1Br)O 34a_100012001276_100000210202 [1,1,0,0,0,0|1,0,1]=4 2624 B11R1.81 CCNc1ccc(cc1C)Br 34a_100000211769_100000210202 [1,1,0,0,0,0|1,0,1]=4 2625 B11R1.81 CCNc1ccc(cc1C)Br 7a_100000211769_100000210202 [1,1,0,0,0,0|1,0,1]=4 2626 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [1,1,0,0,0,0|1,0,1]=4 2627 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [1,1,0,0,0,0|1,0,1]=4 2628 B11R1.81 CCNc1ccc(cc1C)Cl 34a_100000210418_100000210202 [1,1,0,0,0,0|1,0,1]=4 2629 B11R1.81 CCNc1ccc(cc1C)Cl 7a_100000210418_100000210202 [1,1,0,0,0,0|1,0,1]=4 2630 B11R1.81 CCNc1ccc(cc1C)F 34a_100000211637_100000210202 [1,1,0,0,0,0|1,0,1]=4 2631 B11R1.81 CCNc1ccc(cc1C)F 7a_100000211637_100000210202 [1,1,0,0,0,0|1,0,1]=4 2632 B11R1.81 CCNc1ccc(cc1C)I 34a_100000184554_100000210202 [1,1,0,0,0,0|1,0,1]=4 2633 B11R1.81 CCNc1ccc(cc1C)I 7a_100000184554_100000210202 [1,1,0,0,0,0|1,0,1]=4 2634 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [1,1,0,0,0,0|1,0,1]=4 2635 B11R1.81 CCNc1ccc(cc1Cl)Br 34a_100000211467_100000210202 [1,1,0,0,0,0|1,0,1]=4 2636 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [1,1,0,0,0,0|1,0,1]=4 2637 B11R1.81 CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210202 [1,1,0,0,0,0|1,0,1]=4 2638 B11R1.81 CCNc1ccc(cc1Cl)F 34a_100000212003_100000210202 [1,1,0,0,0,0|1,0,1]=4 2639 B11R1.81 CCNc1ccc(cc1Cl)I 34a_100011218065_100000210202 [1,1,0,0,0,0|1,0,1]=4 2640 B11R1.81 CCNc1ccc(cc1Cl)O 34a_100011215599_100000210202 [1,1,0,0,0,0|1,0,1]=4 2641 B11R1.81 CCNc1ccc(cc1F)Br 34a_100000210722_100000210202 [1,1,0,0,0,0|1,0,1]=4 2642 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [1,1,0,0,0,0|1,0,1]=4 2643 B11R1.81 CCNc1ccc(cc1F)Cl 34a_100000211020_100000210202 [1,1,0,0,0,0|1,0,1]=4 2644 B11R1.81 CCNc1ccc(cc1F)F 34a_100000210720_100000210202 [1,1,0,0,0,0|1,0,1]=4 2645 B11R1.81 CCNc1ccc(cc1F)I 34a_100011215594_100000210202 [1,1,0,0,0,0|1,0,1]=4 2646 B11R1.81 CCNc1ccc(cc1F)O 34a_100000759473_100000210202 [1,1,0,0,0,0|1,0,1]=4 2647 B11R1.81 CCNc1ccc(cc1I)Br 34a_100000187925_100000210202 [1,1,0,0,0,0|1,0,1]=4 2648 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [1,1,0,0,0,0|1,0,1]=4 2649 B11R1.81 CCNc1ccc(cc1I)Cl 34a_100000761889_100000210202 [1,1,0,0,0,0|1,0,1]=4 2650 B11R1.81 CCNc1ccc(cc1I)F 34a_100000760547_100000210202 [1,1,0,0,0,0|1,0,1]=4 2651 B11R1.81 CCNc1ccc(cc1I)O 34a_100010084370_100000210202 [1,1,0,0,0,0|1,0,1]=4 2652 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|0,0,1]=3 2653 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|0,0,1]=3 2654 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|0,0,1]=3 2655 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [1,1,0,0,0,0|0,0,1]=3 2656 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|0,0,1]=3 2657 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|1,0,1]=4 2658 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,1,0,0,0,0|1,0,1]=4 2659 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [1,1,0,0,0,0|1,0,1]=4 2660 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [1,1,0,0,0,0|1,0,1]=4 2661 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|1,0,1]=4 2662 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|1,0,1]=4 2663 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [1,1,0,0,0,0|1,0,1]=4 2664 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [1,1,0,0,0,0|1,0,1]=4 2665 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [1,1,0,0,0,0|1,0,1]=4 2666 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [1,1,0,0,0,0|1,0,1]=4 2667 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|1,0,1]=4 2668 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.81 Cc1ccc(c(c1)O)NCF 34a_100000211527_100015361967 [1,1,0,0,0,0|1,0,1]=4 2670 B11R1.81 Oc1cc(ccc1NCF)Br 34a_100000739049_100015361967 [1,1,0,0,0,0|1,0,1]=4 2671 B11R1.81 Oc1cc(ccc1NCF)Cl 34a_100000185728_100015361967 [1,1,0,0,0,0|1,0,1]=4 2672 B11R1.81 Oc1cc(ccc1NCF)F 34a_100000753323_100015361967 [1,1,0,0,0,0|1,0,1]=4 2673 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [1,1,0,0,0,0|1,0,1]=4 2674 B11R1.182 CC=Cc1cc(ccc1Br)Br 271570a_100016259895_100011483371 [1,1,0,0,0,0|2,0,0]=4 2675 B11R1.182 CC=Cc1cc(ccc1Br)C 271570a_100016259895_100012353751 [1,1,0,0,0,0|2,0,0]=4 2676 B11R1.182 CC=Cc1cc(ccc1Br)Cl 271570a_100016259895_100012339723 [1,1,0,0,0,0|2,0,0]=4 2677 B11R1.182 CC=Cc1cc(ccc1Br)F 271570a_100016259895_100011217576 [1,1,0,0,0,0|2,0,0]=4 2678 B11R1.182 CC=Cc1cc(ccc1Br)N 271570a_100016259895_100000750459 [1,1,0,0,0,0|2,0,0]=4 2679 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [1,1,0,0,0,0|2,0,0]=4 2680 B11R1.182 CC=Cc1cc(ccc1C)Br 271570a_100016259895_100011344865 [1,1,0,0,0,0|2,0,0]=4 2681 B11R1.182 CC=Cc1cc(ccc1C)C 271570a_100016259895_100000210833 [1,1,0,0,0,0|2,0,0]=4 2682 B11R1.182 CC=Cc1cc(ccc1C)Cl 271570a_100016259895_100011263213 [1,1,0,0,0,0|2,0,0]=4 2683 B11R1.182 CC=Cc1cc(ccc1C)F 271570a_100016259895_100011218078 [1,1,0,0,0,0|2,0,0]=4 2684 B11R1.182 CC=Cc1cc(ccc1C)N 271570a_100016259895_100000736455 [1,1,0,0,0,0|2,0,0]=4 2685 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.182 CC=Cc1cc(ccc1Cl)Br 271570a_100016259895_100011772130 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.182 CC=Cc1cc(ccc1Cl)C 271570a_100016259895_100012356289 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.182 CC=Cc1cc(ccc1Cl)Cl 271570a_100016259895_100000707729 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.182 CC=Cc1cc(ccc1Cl)F 271570a_100016259895_100011217299 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.182 CC=Cc1cc(ccc1Cl)N 271570a_100016259895_100012360549 [1,1,0,0,0,0|2,0,0]=4 2691 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.182 CC=Cc1cc(ccc1F)Br 271570a_100016259895_100011217312 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.182 CC=Cc1cc(ccc1F)C 271570a_100016259895_100000736223 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.182 CC=Cc1cc(ccc1F)Cl 271570a_100016259895_100011218116 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.182 CC=Cc1cc(ccc1F)F 271570a_100016259895_100000750033 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.182 CC=Cc1cc(ccc1F)N 271570a_100016259895_100000760356 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [1,1,0,0,0,0|2,0,0]=4 2698 B11R1.182 CC=Cc1cc(ccc1N)Br 271570a_100016259895_100000187925 [1,1,0,0,0,0|2,0,0]=4 2699 B11R1.182 CC=Cc1cc(ccc1N)C 271570a_100016259895_100000210942 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.182 CC=Cc1cc(ccc1N)Cl 271570a_100016259895_100000761889 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.182 CC=Cc1cc(ccc1N)F 271570a_100016259895_100000760547 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.182 CC=Cc1cc(ccc1N)N 271570a_100016259895_100011534242 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [1,1,0,0,0,0|2,0,0]=4 2704 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,1,0,0,0,0|1,0,0]=3 2705 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|1,0,0]=3 2706 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,1,0,0,0,0|1,0,0]=3 2707 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,1,0,0,0,0|1,0,0]=3 2708 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,1,0,0,0,0|1,0,0]=3 2709 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,1,0,0,0,0|1,0,0]=3 2710 B11R1.182 CC=Cc1cc(cnc1O)Br 271570a_100016259895_100010197142 [1,1,0,0,0,0|2,0,0]=4 2711 B11R1.182 CC=Cc1cc(cnc1O)C 271570a_100016259895_100000049931 [1,1,0,0,0,0|2,0,0]=4 2712 B11R1.182 CC=Cc1cc(cnc1O)Cl 271570a_100016259895_100010188700 [1,1,0,0,0,0|2,0,0]=4 2713 B11R1.182 CC=Cc1cc(ncc1O)C 271570a_100016259895_100009843476 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.182 CC=Cc1cc(ncc1O)Cl 271570a_100016259895_100000698892 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.182 CC=Cc1nc(ccc1O)Br 271570a_100016259895_100010253912 [1,1,0,0,0,0|2,0,0]=4 2716 B11R1.182 CC=Cc1nc(ccc1O)C 271570a_100016259895_100000702858 [1,1,0,0,0,0|2,0,0]=4 2717 B11R1.182 CC=Cc1nc(ccc1O)Cl 271570a_100016259895_100000696390 [1,1,0,0,0,0|2,0,0]=4 2718 B11R1.182 CC=Cc1nc(ccc1O)F 271570a_100016259895_100010382442 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.182 CCNc1cc(ccc1Br)Br 34a_100000737762_100000210202 [1,1,0,0,0,0|1,0,1]=4 2720 B11R1.182 CCNc1cc(ccc1Br)C 34a_100000745044_100000210202 [1,1,0,0,0,0|1,0,1]=4 2721 B11R1.182 CCNc1cc(ccc1Br)Cl 34a_100000687073_100000210202 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.182 CCNc1cc(ccc1Br)F 34a_100000687223_100000210202 [1,1,0,0,0,0|1,0,1]=4 2723 B11R1.182 CCNc1cc(ccc1Br)O 34a_100011999798_100000210202 [1,1,0,0,0,0|1,0,1]=4 2724 B11R1.182 CCNc1cc(ccc1C)Br 34a_100000741167_100000210202 [1,1,0,0,0,0|1,0,1]=4 2725 B11R1.182 CCNc1cc(ccc1C)Br 7a_100000741167_100000210202 [1,1,0,0,0,0|1,0,1]=4 2726 B11R1.182 CCNc1cc(ccc1C)C 2230a_100000185781_100000210202 [1,1,0,0,0,0|1,0,1]=4 2727 B11R1.182 CCNc1cc(ccc1C)C 34a_100000185781_100000210202 [1,1,0,0,0,0|1,0,1]=4 2728 B11R1.182 CCNc1cc(ccc1C)C 7a_100000185781_100000210202 [1,1,0,0,0,0|1,0,1]=4 2729 B11R1.182 CCNc1cc(ccc1C)Cl 34a_100000211374_100000210202 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.182 CCNc1cc(ccc1C)Cl 7a_100000211374_100000210202 [1,1,0,0,0,0|1,0,1]=4 2731 B11R1.182 CCNc1cc(ccc1C)F 34a_100000211107_100000210202 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.182 CCNc1cc(ccc1C)F 7a_100000211107_100000210202 [1,1,0,0,0,0|1,0,1]=4 2733 B11R1.182 CCNc1cc(ccc1C)I 7a_100000761890_100000210202 [1,1,0,0,0,0|1,0,1]=4 2734 B11R1.182 CCNc1cc(ccc1C)O 34a_100011216113_100000210202 [1,1,0,0,0,0|1,0,1]=4 2735 B11R1.182 CCNc1cc(ccc1Cl)Br 34a_100000750497_100000210202 [1,1,0,0,0,0|1,0,1]=4 2736 B11R1.182 CCNc1cc(ccc1Cl)C 34a_100011215360_100000210202 [1,1,0,0,0,0|1,0,1]=4 2737 B11R1.182 CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210202 [1,1,0,0,0,0|1,0,1]=4 2738 B11R1.182 CCNc1cc(ccc1Cl)F 34a_100000751338_100000210202 [1,1,0,0,0,0|1,0,1]=4 2739 B11R1.182 CCNc1cc(ccc1Cl)I 34a_200000761891_100000210202 [1,1,0,0,0,0|1,0,1]=4 2740 B11R1.182 CCNc1cc(ccc1Cl)O 34a_100011934297_100000210202 [1,1,0,0,0,0|1,0,1]=4 2741 B11R1.182 CCNc1cc(ccc1F)Br 34a_100000740924_100000210202 [1,1,0,0,0,0|1,0,1]=4 2742 B11R1.182 CCNc1cc(ccc1F)C 34a_100000211285_100000210202 [1,1,0,0,0,0|1,0,1]=4 2743 B11R1.182 CCNc1cc(ccc1F)Cl 34a_100000212115_100000210202 [1,1,0,0,0,0|1,0,1]=4 2744 B11R1.182 CCNc1cc(ccc1F)F 34a_100000210742_100000210202 [1,1,0,0,0,0|1,0,1]=4 2745 B11R1.182 CCNc1cc(ccc1F)I 34a_100011464823_100000210202 [1,1,0,0,0,0|1,0,1]=4 2746 B11R1.182 CCNc1cc(ccc1F)O 34a_100012017239_100000210202 [1,1,0,0,0,0|1,0,1]=4 2747 B11R1.182 CCNc1cc(ccc1I)Br 34a_100000743836_100000210202 [1,1,0,0,0,0|1,0,1]=4 2748 B11R1.182 CCNc1cc(ccc1I)C 34a_100011216686_100000210202 [1,1,0,0,0,0|1,0,1]=4 2749 B11R1.182 CCNc1cc(ccc1I)Cl 34a_100000761886_100000210202 [1,1,0,0,0,0|1,0,1]=4 2750 B11R1.182 CCNc1cc(ccc1I)F 34a_100011218093_100000210202 [1,1,0,0,0,0|1,0,1]=4 2751 B11R1.182 CCNc1cc(ccc1N)O 271570a_203496583355_100000696630 [1,1,0,0,0,0|1,0,1]=4 2752 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|0,0,1]=3 2753 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|0,0,1]=3 2754 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|0,0,1]=3 2755 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,1,0,0,0,0|0,0,1]=3 2756 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|1,0,1]=4 2757 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,1,0,0,0,0|1,0,1]=4 2758 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|1,0,1]=4 2759 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,1,0,0,0,0|1,0,1]=4 2760 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,1,0,0,0,0|1,0,1]=4 2761 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|1,0,1]=4 2762 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|1,0,1]=4 2763 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,1,0,0,0,0|1,0,1]=4 2764 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,1,0,0,0,0|1,0,1]=4 2765 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,1,0,0,0,0|1,0,1]=4 2766 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,1,0,0,0,0|1,0,1]=4 2767 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|1,0,1]=4 2768 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|1,0,1]=4 2769 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,1,0,0,0,0|1,0,1]=4 2770 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 2771 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|2,0,0]=4 2772 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|2,0,0]=4 2773 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|2,0,0]=4 2774 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|2,0,0]=4 2775 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|2,0,0]=4 2776 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,1,0,0,0,0|2,0,0]=4 2777 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,1,0,0,0,0|2,0,0]=4 2778 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,1,0,0,0,0|1,0,1]=4 2779 B11R1.182 Oc1ccc(cc1NCF)Br 34a_100000752626_100015361967 [1,1,0,0,0,0|1,0,1]=4 2780 B11R1.182 Oc1ccc(cc1NCF)Cl 34a_100000210500_100015361967 [1,1,0,0,0,0|1,0,1]=4 2781 B11R1.182 Oc1ccc(cc1NCF)F 34a_100000759472_100015361967 [1,1,0,0,0,0|1,0,1]=4 2782 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 2783 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,1,0,0,0,0|2,0,0]=4 2785 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,1,0,0,0,0|2,0,0]=4 2786 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,1]=4 2787 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|1,0,1]=4 2788 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|1,0,1]=4 2789 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|1,0,1]=4 2790 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|1,0,1]=4 2791 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|1,0,1]=4 2792 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|1,0,1]=4 2793 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|1,0,1]=4 2794 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|1,0,1]=4 2795 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|1,0,1]=4 2796 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|1,0,1]=4 2797 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|1,0,1]=4 2798 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|1,0,1]=4 2799 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|1,0,1]=4 2800 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|1,0,1]=4 2801 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|1,0,1]=4 2802 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|1,0,1]=4 2803 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|1,0,1]=4 2804 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|1,0,1]=4 2805 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|1,0,1]=4 2806 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|1,0,1]=4 2807 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|1,0,1]=4 2808 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|1,0,1]=4 2809 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|0,0,1]=3 2810 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|0,0,1]=3 2811 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|1,0,1]=4 2812 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|1,0,1]=4 2813 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|1,0,1]=4 2814 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|1,0,1]=4 2815 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|1,0,1]=4 2816 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|1,0,1]=4 2817 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|1,0,1]=4 2818 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|1,0,1]=4 2819 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|1,0,1]=4 2820 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|0,0,1]=3 2821 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [1,1,0,0,0,0|1,0,1]=4 2822 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|2,0,0]=4 2825 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 2826 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.605 CC=Cc1c(cccc1Br)Br 271570a_100016259895_100009994525 [1,1,0,0,0,0|2,0,0]=4 2829 B11R1.605 CC=Cc1c(cccc1Br)Cl 271570a_100016259895_100010214488 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.605 CC=Cc1c(cccc1Br)F 271570a_100016259895_100011219512 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.605 CC=Cc1c(cccc1Br)N 271570a_100016259895_100020590159 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.605 CC=Cc1c(cccc1Br)O 271570a_100016259895_100010187912 [1,1,0,0,0,0|1,0,0]=3 2833 B11R1.605 CC=Cc1c(cccc1C)C 271570a_100016259895_100000033847 [1,1,0,0,0,0|2,0,0]=4 2834 B11R1.605 CC=Cc1c(cccc1Cl)C 271570a_100016259895_100000043165 [1,1,0,0,0,0|2,0,0]=4 2835 B11R1.605 CC=Cc1c(cccc1Cl)Cl 271570a_100016259895_100000034237 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.605 CC=Cc1c(cccc1Cl)F 271570a_100016259895_100000050007 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.605 CC=Cc1c(cccc1Cl)N 271570a_100016259895_100000049713 [1,1,0,0,0,0|2,0,0]=4 2838 B11R1.605 CC=Cc1c(cccc1Cl)O 271570a_100016259895_100000050174 [1,1,0,0,0,0|1,0,0]=3 2839 B11R1.605 CC=Cc1c(cccc1F)C 271570a_100016259895_100012349962 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.605 CC=Cc1c(cccc1F)F 271570a_100016259895_100000693133 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.605 CC=Cc1c(cccc1F)N 271570a_100016259895_100011934729 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.605 CC=Cc1c(cccc1F)O 271570a_100016259895_100009820682 [1,1,0,0,0,0|1,0,0]=3 2843 B11R1.605 CC=Cc1c(cccc1N)C 271570a_100016259895_100000684715 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [1,1,0,0,0,0|1,0,0]=3 2845 B11R1.605 CC=Cc1c(cccc1O)N 271570a_100016259895_100012183704 [1,1,0,0,0,0|1,0,0]=3 2846 B11R1.605 CC=Cc1c(cccc1O)O 271570a_100016259895_100010205330 [1,1,0,0,0,0|1,0,0]=3 2847 B11R1.605 CC=Cc1c(ccnc1O)C 271570a_100016259895_100012000493 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.605 CC=Cc1c(ccnc1O)O 271570a_100016259895_200009817435 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.605 CCNc1c(cccc1Br)Br 34a_100000690995_100000210202 [1,1,0,0,0,0|1,0,1]=4 2850 B11R1.605 CCNc1c(cccc1Br)C 34a_100011834072_100000210202 [1,1,0,0,0,0|1,0,1]=4 2851 B11R1.605 CCNc1c(cccc1Br)Cl 34a_100102946385_100000210202 [1,1,0,0,0,0|1,0,1]=4 2852 B11R1.605 CCNc1c(cccc1Br)F 34a_100000684712_100000210202 [1,1,0,0,0,0|1,0,1]=4 2853 B11R1.605 CCNc1c(cccc1Br)O 34a_100011934926_100000210202 [1,1,0,0,0,0|0,0,1]=3 2854 B11R1.605 CCNc1c(cccc1C)C 34a_100000185769_100000210202 [1,1,0,0,0,0|1,0,1]=4 2855 B11R1.605 CCNc1c(cccc1Cl)C 34a_100000756524_100000210202 [1,1,0,0,0,0|1,0,1]=4 2856 B11R1.605 CCNc1c(cccc1Cl)Cl 34a_100000210028_100000210202 [1,1,0,0,0,0|1,0,1]=4 2857 B11R1.605 CCNc1c(cccc1Cl)F 34a_100000760031_100000210202 [1,1,0,0,0,0|1,0,1]=4 2858 B11R1.605 CCNc1c(cccc1Cl)O 34a_100012022510_100000210202 [1,1,0,0,0,0|0,0,1]=3 2859 B11R1.605 CCNc1c(cccc1F)C 34a_100000766463_100000210202 [1,1,0,0,0,0|1,0,1]=4 2860 B11R1.605 CCNc1c(cccc1F)F 2230a_100000210704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2861 B11R1.605 CCNc1c(cccc1F)F 34a_100000210704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2862 B11R1.605 CCNc1c(cccc1F)O 34a_100020591140_100000210202 [1,1,0,0,0,0|0,0,1]=3 2863 B11R1.605 CCNc1c(cccc1I)F 34a_100000042321_100000210202 [1,1,0,0,0,0|1,0,1]=4 2864 B11R1.605 CCNc1c(cccc1O)C 34a_100000743429_100000210202 [1,1,0,0,0,0|0,0,1]=3 2865 B11R1.605 CCOc1c(cccc1F)O 271570a_203496583355_100010232518 [1,1,0,0,0,0|1,0,1]=4 2866 B11R1.605 CCSc1c(cccc1Br)O 62a_100000210202_100010187912 [1,1,0,0,0,0|1,0,1]=4 2867 B11R1.605 CCSc1c(cccc1Br)O 62a_100010187912_100000210202 [1,1,0,0,0,0|1,0,1]=4 2868 B11R1.605 CCSc1c(cccc1Cl)O 62a_100000210202_100000050174 [1,1,0,0,0,0|1,0,1]=4 2869 B11R1.605 CCSc1c(cccc1F)O 62a_100000210202_100009820682 [1,1,0,0,0,0|1,0,1]=4 2870 B11R1.605 CCSc1c(cccc1F)O 62a_100009820682_100000210202 [1,1,0,0,0,0|1,0,1]=4 2871 B11R1.605 CCSc1c(cccc1O)C 62a_100000210202_100000686692 [1,1,0,0,0,0|1,0,1]=4 2872 B11R1.605 CCSc1c(cccc1O)C 62a_100000686692_100000210202 [1,1,0,0,0,0|1,0,1]=4 2873 B11R1.605 CCSc1c(cccc1O)N 62a_100000210202_100012183704 [1,1,0,0,0,0|1,0,1]=4 2874 B11R1.605 CCSc1c(cccc1O)N 62a_100012183704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2875 B11R1.605 CCSc1c(cccc1O)O 62a_100000210202_100010205330 [1,1,0,0,0,0|1,0,1]=4 2876 B11R1.605 CNCc1c(cccc1F)O 271570a_203496583355_106744473292 [1,1,0,0,0,0|2,0,0]=4 2877 B11R1.605 Cc1cccc(c1NCF)O 34a_100000743429_100015361967 [1,1,0,0,0,0|1,0,1]=4 2878 B11R1.605 Oc1cccc(c1NCF)Br 34a_100011934926_100015361967 [1,1,0,0,0,0|1,0,1]=4 2879 B11R1.605 Oc1cccc(c1NCF)Cl 34a_100012022510_100015361967 [1,1,0,0,0,0|1,0,1]=4 2880 B11R1.605 Oc1cccc(c1NCF)F 34a_100020591140_100015361967 [1,1,0,0,0,0|1,0,1]=4 2881 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,0]=3 2888 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,0]=3 2889 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|1,0,0]=3 2890 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|1,0,0]=3 2891 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,0]=3 2892 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,0]=3 2893 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,0]=3 2894 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,0]=3 2895 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,0]=3 2896 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,0]=3 2897 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,0]=3 2898 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,0]=3 2899 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,0|0,0,0]=2 2915 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,0|0,0,0]=2 2916 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,0|0,0,0]=2 2917 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,0|0,0,0]=2 2918 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|0,0,0]=2 2919 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|0,0,0]=2 2920 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|0,0,0]=2 2921 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|0,0,0]=2 2922 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|0,0,0]=2 2923 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|0,0,0]=2 2924 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|0,0,0]=2 2925 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|0,0,0]=2 2926 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,0|0,0,0]=2 2927 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,0|0,0,0]=2 2928 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,0|0,0,0]=2 2929 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,0|0,0,0]=2 2930 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,0|0,0,0]=2 2931 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,0|0,0,0]=2 2932 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,0|0,0,0]=2 2933 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,0|0,0,0]=2 2934 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|0,0,0]=2 2935 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|0,0,0]=2 2936 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,1,0,0,0,0|1,0,0]=3 2937 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,1,0,0,0,0|1,0,0]=3 2938 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [1,1,0,0,0,0|2,0,0]=4 2939 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [1,1,0,0,0,0|2,0,0]=4 2940 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|1,0,0]=3 2941 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|1,0,0]=3 2942 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,0|1,1,0]=4 2943 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,1,0,0,0,0|1,0,1]=4 2944 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,1,0,0,0,0|1,0,1]=4 2945 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,1,0,0,0,0|1,0,1]=4 2946 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,1,0,0,0,0|1,0,1]=4 2947 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,1,0,0,0,0|1,0,1]=4 2948 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,1,0,0,0,0|1,0,1]=4 2949 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,1,0,0,0,0|1,0,1]=4 2950 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,1,0,0,0,0|1,0,1]=4 2951 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|1,0,0]=3 2952 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,1,0,0,0,0|1,0,1]=4 2953 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|1,0,0]=3 2957 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,0]=3 2958 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,0]=3 2959 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,0]=3 2960 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,0]=3 2961 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,0]=3 2962 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,1,0,0,0,0|2,0,0]=4 2963 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2964 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2965 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2966 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,1,0,0,0,0|2,0,0]=4 2967 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|1,0,0]=3 2968 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|1,0,0]=3 2969 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|2,0,0]=4 2970 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|1,0,0]=3 2971 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|2,0,0]=4 2972 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,0]=3 2973 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|0,0,0]=2 2974 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|0,0,0]=2 2975 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|0,0,0]=2 2976 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|1,0,0]=3 2977 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,0]=3 2978 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|2,0,0]=4 2979 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|1,0,1]=4 2980 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|1,0,1]=4 2981 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|1,0,1]=4 2982 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|1,0,1]=4 2983 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|1,0,1]=4 2984 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|1,0,1]=4 2985 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|1,0,1]=4 2986 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|1,0,1]=4 2987 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|1,0,1]=4 2988 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|1,0,1]=4 2989 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|1,0,1]=4 2990 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|1,0,0]=3 2991 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,0]=3 2992 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,0]=3 2993 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,1,0,0,0,0|1,0,1]=4 2994 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,1,0,0,0,0|1,0,1]=4 2995 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,1,0,0,0,0|1,0,1]=4 2996 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,1,0,0,0,0|0,0,1]=3 2997 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,1,0,0,0,0|0,0,1]=3 2998 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|0,0,2]=4 2999 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,1,0,0,0,0|2,0,0]=4 3000 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,0]=3 3001 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,0|2,0,0]=4 3002 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,0|2,0,0]=4 3003 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,1,0,0,0,0|2,0,0]=4 3004 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,1,0,0,0,0|2,0,0]=4 3005 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,1,0,0,0,0|2,0,0]=4 3006 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|0,0,0]=2 3007 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|0,0,0]=2 3008 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|0,0,0]=2 3009 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|0,0,0]=2 3010 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|1,0,1]=4 3011 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,1,0,0,0,0|2,0,0]=4 3012 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,1,0,0,0,0|2,0,0]=4 3014 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,0|2,0,0]=4 3015 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,1,0,0,0,0|2,0,0]=4 3016 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,1,0,0,0,0|2,0,0]=4 3017 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,1,0,0,0,0|2,0,0]=4 3018 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,1,0,0,0,0|2,0,0]=4 3019 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,1,0,0,0,0|2,0,0]=4 3020 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,0|0,0,0]=2 3021 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [1,1,0,0,0,0|2,0,0]=4 3022 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [1,1,0,0,0,0|2,0,0]=4 3023 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [1,1,0,0,0,0|2,0,0]=4 3024 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|1,0,0]=3 3025 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,0|2,0,0]=4 3026 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,1,0,0,0,0|2,0,0]=4 3027 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,1,0,0,0,0|2,0,0]=4 3028 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|0,0,0]=2 3029 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|0,0,0]=2 3030 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [1,1,0,0,0,0|2,0,0]=4 3031 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [1,1,0,0,0,0|2,0,0]=4 3032 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [1,1,0,0,0,0|2,0,0]=4 3033 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [1,1,0,0,0,0|2,0,0]=4 3034 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [1,1,0,0,0,0|2,0,0]=4 3035 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,1,0,0,0,0|2,0,0]=4 3036 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [1,1,0,0,0,0|2,0,0]=4 3037 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,1,0,0,0,0|2,0,0]=4 3038 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,1,0,0,0,0|2,0,0]=4 3039 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,1,0,0,0,0|2,0,0]=4 3040 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,0]=3 3041 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,0]=3 3042 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,0]=3 3043 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,0]=3 3044 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,0]=3 3045 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,0]=3 3046 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,0]=3 3047 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,0]=3 3048 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,0]=3 3049 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,0]=3 3050 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,0]=3 3051 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,0]=3 3052 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,0]=3 3053 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,1,0,0,0,0|2,0,0]=4 3054 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,1,0,0,0,0|2,0,0]=4 3055 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,1,0,0,0,0|2,0,0]=4 3056 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,1,0,0,0,0|2,0,0]=4 3060 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,1,0,0,0,0|2,0,0]=4 3061 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,1,0,0,0,0|2,0,0]=4 3062 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,1,0,0,0,0|2,0,0]=4 3064 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,1,0,0,0,0|2,0,0]=4 3065 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,1,0,0,0,0|2,0,0]=4 3066 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,1,0,0,0,0|2,0,0]=4 3068 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,1,0,0,0,0|2,0,0]=4 3069 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,1,0,0,0,0|2,0,0]=4 3070 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,1,0,0,0,0|1,0,0]=3 3072 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,1,0,0,0,0|0,0,0]=2 3073 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,1,0,0,0,0|0,0,0]=2 3074 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,1,0,0,0,0|0,0,0]=2 3075 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,1,0,0,0,0|0,0,0]=2 3076 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,1,0,0,0,0|0,0,0]=2 3077 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,1,0,0,0,0|0,0,0]=2 3078 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,1,0,0,0,0|0,0,0]=2 3079 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,1,0,0,0,0|0,0,0]=2 3080 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,1,0,0,0,0|0,0,0]=2 3081 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,1,0,0,0,0|0,0,0]=2 3082 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,1,0,0,0,0|0,0,0]=2 3083 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,1,0,0,0,0|0,0,0]=2 3084 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,1,0,0,0,0|0,0,0]=2 3085 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,1,0,0,0,0|0,0,0]=2 3086 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,1,0,0,0,0|0,0,0]=2 3087 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,1,0,0,0,0|0,0,0]=2 3088 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,1,0,0,0,0|0,0,0]=2 3089 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,1,0,0,0,0|0,0,0]=2 3090 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,1,0,0,0,0|0,0,0]=2 3091 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,1,0,0,0,0|0,0,0]=2 3092 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,1,0,0,0,0|0,0,0]=2 3093 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,1,0,0,0,0|0,0,0]=2 3094 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,1,0,0,0,0|0,0,0]=2 3095 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,1,0,0,0,0|1,0,0]=3 3096 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,1,0,0,0,0|1,0,0]=3 3097 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,1,0,0,0,0|1,0,0]=3 3098 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [1,1,0,0,0,0|2,0,0]=4 3099 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,1,0,0,0,0|1,0,0]=3 3100 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [1,1,0,0,0,0|1,0,1]=4 3101 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [1,1,0,0,0,0|1,0,1]=4 3102 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [1,1,0,0,0,0|1,0,1]=4 3103 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [1,1,0,0,0,0|1,0,1]=4 3104 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [1,1,0,0,0,0|1,0,1]=4 3105 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [1,1,0,0,0,0|1,0,1]=4 3106 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,0]=3 3107 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [1,1,0,0,0,0|1,0,1]=4 3108 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [1,1,0,0,0,0|1,0,1]=4 3109 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,1,0,0,0,0|1,0,0]=3 3112 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,0]=3 3113 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3114 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,0]=3 3115 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,0]=3 3116 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,0]=3 3117 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [1,1,0,0,0,0|1,0,1]=4 3124 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,1,0|1,0,0]=3 3125 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,1,0|1,0,0]=3 3126 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,1,0,0,1,0|2,0,0]=4 3127 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,1,0,0,1,0|1,0,1]=4 3128 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,1,0|2,0,0]=4 3129 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,1,0|2,0,0]=4 3130 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,1,0|1,0,0]=3 3131 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,1,0|2,0,0]=4 3132 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,1,0|2,0,0]=4 3133 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,1,0,0,1,0|2,0,0]=4 3134 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,1,0|2,0,0]=4 3135 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,1,0|1,0,0]=3 3136 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,1,0|1,1,0]=4 3137 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,1,0,0,1,0|2,0,0]=4 3138 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,1,0|2,0,0]=4 3139 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,1,0,0,1,0|2,0,0]=4 3140 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,1,0,0,1,0|2,0,0]=4 3141 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,1,0,0,1,0|2,0,0]=4 3142 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,1,0,0,1,0|2,0,0]=4 3143 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,1,0,0,1,0|2,0,0]=4 3144 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,1,0|2,0,0]=4 3145 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,1,0|1,0,0]=3 3146 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,1,0|1,0,0]=3 3147 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,1,0,0,1,0|2,0,0]=4 3148 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,1,0|1,0,0]=3 3149 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,1,0,0,1,0|2,0,0]=4 3150 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,1,0,0,1,0|2,0,0]=4 3151 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,1,0,0,1,0|2,0,0]=4 3152 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,1,0,0,1,0|2,0,0]=4 3153 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,1,0,0,1,0|2,0,0]=4 3154 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,1,0|1,0,0]=3 3155 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,1,0|0,0,0]=2 3156 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,1,0|0,0,1]=3 3157 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,1,0|0,1,0]=3 3158 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,1,0|1,1,0]=4 3159 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,1,0|1,1,0]=4 3160 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,1,0|1,0,0]=3 3161 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,1,0,0,1,0|1,1,0]=4 3162 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,1,0,0,1,0|1,1,0]=4 3163 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,1,0,0,1,0|1,1,0]=4 3164 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,1,0,0,1,0|1,1,0]=4 3165 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,1,0|1,0,0]=3 3166 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,1,0|1,0,0]=3 3167 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,1,0|1,1,0]=4 3168 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,1,0|1,1,0]=4 3169 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,1,0|1,0,1]=4 3170 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,1,0|1,0,1]=4 3171 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,1,0,0,1,0|0,0,2]=4 3172 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,1,0,0,1,0|0,0,2]=4 3173 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,1,0|1,0,0]=3 3174 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,1,0|1,0,0]=3 3175 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,1,0,0,1,0|2,0,0]=4 3176 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,1,0,0,1,0|2,0,0]=4 3177 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,1,0|2,0,0]=4 3178 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,1,0|0,0,0]=2 3179 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,1,0|1,0,0]=3 3180 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,1,0|1,0,0]=3 3181 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,1,0|0,0,0]=2 3182 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,1,0|1,0,0]=3 3183 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,1,0,0,1,0|1,1,0]=4 3184 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,1,0|1,0,1]=4 3185 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,1,0|1,0,1]=4 3186 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,1,0,0,1,0|0,0,2]=4 3187 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,1,0,0,1,0|0,0,2]=4 3188 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,1,0,0,1,0|2,0,0]=4 3189 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,1,0,0,1,0|2,0,0]=4 3190 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,1,0,0,1,0|2,0,0]=4 3191 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,1,0,0,1,0|2,0,0]=4 3192 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,1,0,0,1,0|2,0,0]=4 3193 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,1,0,0,1,0|2,0,0]=4 3194 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,1,0,0,1,0|1,0,1]=4 3195 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,1,0,0,1,0|2,0,0]=4 3196 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,1,0,0,1,0|2,0,0]=4 3197 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,1,0|1,0,0]=3 3198 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,1,0|1,0,0]=3 3199 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,1,0,0,1,0|2,0,0]=4 3200 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,1,0,0,1,0|2,0,0]=4 3201 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,1,0,0,1,0|2,0,0]=4 3202 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,1,0|1,0,0]=3 3203 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,1,0,0,1,0|2,0,0]=4 3204 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,1,0|1,1,0]=4 3205 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,1,0|0,1,0]=3 3206 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,1,0|0,1,0]=3 3207 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,1,0,0,1,0|1,1,0]=4 3208 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,1,0,0,1,0|1,1,0]=4 3209 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,0,1,0|1,1,0]=4 3210 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,0,1,0|1,1,0]=4 3211 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,1,0|0,1,0]=3 3212 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,1,0|1,1,0]=4 3213 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,1,0|1,1,0]=4 3214 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,1,0|1,1,0]=4 3215 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,1,0,0,1,0|1,1,0]=4 3216 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,1,0,0,1,0|1,1,0]=4 3217 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,1,0,0,1,0|1,1,0]=4 3218 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,1,0,0,1,0|1,1,0]=4 3219 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,1,0|1,1,0]=4 3220 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,1,0|1,1,0]=4 3221 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,1,0,0,1,0|1,0,1]=4 3222 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,1,0|1,0,0]=3 3223 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,1,0|0,0,0]=2 3224 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,1,0|0,0,1]=3 3225 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,1,0,0,1,0|2,0,0]=4 3226 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,1,0|1,0,0]=3 3227 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,1,0|1,0,0]=3 3228 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,1,0|1,0,0]=3 3229 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,1,0,0,1,0|1,1,0]=4 3230 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,1,0,0,1,0|2,0,0]=4 3231 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,1,0,0,1,0|2,0,0]=4 3232 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,1,0,0,1,0|2,0,0]=4 3233 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,1,0,0,1,0|2,0,0]=4 3234 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,1,0,0,1,0|2,0,0]=4 3235 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,1,0,0,1,0|2,0,0]=4 3236 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,1,0,0,1,0|1,1,0]=4 3237 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,1,0,0,1,0|1,1,0]=4 3238 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,0,1,0|1,1,0]=4 3239 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,0,1,0|1,1,0]=4 3240 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [0,1,0,0,1,0|1,0,1]=4 3241 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [0,1,0,0,1,0|1,0,1]=4 3242 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [0,1,0,0,1,0|0,0,2]=4 3243 B11R1.87 CC(F)(F)c1ccccc1O 271570a_203496583355_100010220483 [0,1,0,0,1,0|1,0,1]=4 3244 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,1,0,0,1,0|1,0,0]=3 3245 B11R1.87 CS(=O)(=O)c1ccncc1O 271570a_203496583355_200010191168 [0,1,0,0,1,0|2,0,0]=4 3246 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,1,0,0,1,0|2,0,0]=4 3247 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [0,1,0,0,1,0|2,0,0]=4 3248 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [0,1,0,0,1,0|2,0,0]=4 3249 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [0,1,0,0,1,0|2,0,0]=4 3250 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [0,1,0,0,1,0|2,0,0]=4 3251 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [0,1,0,0,1,0|2,0,0]=4 3252 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [0,1,0,0,1,0|1,0,0]=3 3253 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,1,0,0,1,0|2,0,0]=4 3254 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,1,0,0,1,0|2,0,0]=4 3255 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [0,1,0,0,1,0|2,0,0]=4 3256 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [0,1,0,0,1,0|2,0,0]=4 3257 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [0,1,0,0,1,0|2,0,0]=4 3258 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [0,1,0,0,1,0|1,0,0]=3 3259 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,1,0,0,1,0|2,0,0]=4 3260 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [0,1,0,0,1,0|2,0,0]=4 3261 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [0,1,0,0,1,0|2,0,0]=4 3262 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [0,1,0,0,1,0|1,0,0]=3 3263 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,1,0,0,1,0|2,0,0]=4 3264 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,1,0,0,1,0|1,0,0]=3 3265 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [0,1,0,0,1,0|1,0,0]=3 3266 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [0,1,0,0,1,0|1,0,0]=3 3267 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,1,0,0,1,0|2,0,0]=4 3268 B11R1.156 C=C(C)c1c(ccnc1O)O 271570a_100000694244_200009817435 [0,1,0,0,1,0|2,0,0]=4 3269 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,1,0,0,1,0|1,0,0]=3 3270 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,1,0,0,1,0|1,0,0]=3 3271 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,1,0,0,1,0|1,0,0]=3 3272 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,1,0,0,1,0|1,0,0]=3 3273 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,1,0,0,1,0|0,0,0]=2 3274 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,1,0,0,1,0|1,0,0]=3 3275 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,1,0,0,1,0|1,0,0]=3 3276 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,1,0,0,1,0|1,0,0]=3 3277 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,1,0,0,1,0|1,0,0]=3 3278 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,1,0,0,1,0|0,0,0]=2 3279 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,1,0,0,1,0|1,0,0]=3 3280 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,1,0,0,1,0|1,0,0]=3 3281 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,1,0,0,1,0|0,0,0]=2 3282 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,1,0,0,1,0|0,0,0]=2 3283 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,1,0,0,1,0|1,0,0]=3 3284 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,1,0,0,1,0|1,0,0]=3 3285 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,1,0,0,1,0|1,0,0]=3 3286 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,1,0,0,1,0|1,0,0]=3 3287 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,1,0,0,1,0|0,0,0]=2 3288 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,1,0,0,1,0|0,0,0]=2 3289 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,1,0,0,1,0|0,0,0]=2 3290 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,1,0,0,1,0|1,0,0]=3 3291 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [0,1,0,0,1,0|0,0,2]=4 3292 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,1,0,0,1,0|1,0,0]=3 3293 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,1,0,0,1,0|1,0,0]=3 3294 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,1,0,0,1,0|1,0,0]=3 3295 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,1,0,0,1,0|1,0,0]=3 3296 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,1,0,0,1,0|1,0,0]=3 3297 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,1,0,0,1,0|0,0,0]=2 3298 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,1,0,0,1,0|1,0,0]=3 3299 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,1,0,0,1,0|1,0,0]=3 3300 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [0,1,0,0,1,0|2,0,0]=4 3301 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,1,0,0,1,0|1,0,0]=3 3302 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,1,0,0,1,0|1,0,0]=3 3303 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,1,0,0,1,0|1,0,0]=3 3304 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,1,0,0,1,0|0,0,0]=2 3305 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,1,0,0,1,0|1,0,0]=3 3306 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,1,0,0,1,0|1,0,0]=3 3307 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,1,0,0,1,0|0,0,0]=2 3308 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,1,0,0,1,0|1,0,0]=3 3309 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,1,0,0,1,0|0,0,0]=2 3310 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,1,0,0,1,0|1,0,0]=3 3311 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,1,0,0,1,0|1,0,0]=3 3312 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,1,0,0,1,0|1,0,0]=3 3313 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,1,0,0,1,0|0,0,0]=2 3314 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,1,0,0,1,0|2,0,0]=4 3315 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,1,0|2,0,0]=4 3316 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,1,0|2,0,0]=4 3317 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,1,0|2,0,0]=4 3318 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,1,0|2,0,0]=4 3319 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,1,0|2,0,0]=4 3320 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,1,0|2,0,0]=4 3321 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,1,0,0,1,0|2,0,0]=4 3322 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,1,0,0,1,0|2,0,0]=4 3323 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,1,0,0,1,0|2,0,0]=4 3324 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,1,0,0,1,0|2,0,0]=4 3325 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,1,0,0,1,0|2,0,0]=4 3326 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,1,0,0,1,0|2,0,0]=4 3327 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,1,0,0,1,0|2,0,0]=4 3328 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,1,0,0,1,0|2,0,0]=4 3329 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,1,0,0,1,0|2,0,0]=4 3330 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,1,0,0,1,0|2,0,0]=4 3331 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,1,0,0,1,0|2,0,0]=4 3332 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,1,0,0,1,0|2,0,0]=4 3333 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,1,0,0,1,0|2,0,0]=4 3334 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,1,0,0,1,0|2,0,0]=4 3335 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,1,0,0,1,0|2,0,0]=4 3336 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,1,0,0,1,0|2,0,0]=4 3337 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,1,0,0,1,0|2,0,0]=4 3338 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,1,0,0,1,0|1,0,0]=3 3339 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,1,0,0,1,0|1,0,0]=3 3340 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,1,0,0,1,0|1,0,0]=3 3341 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,1,0,0,1,0|1,0,0]=3 3342 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,1,0,0,1,0|1,0,0]=3 3343 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,1,0,0,1,0|1,0,0]=3 3344 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,1,0,0,1,0|2,0,0]=4 3345 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,1,0,0,1,0|2,0,0]=4 3346 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,1,0|1,0,0]=3 3347 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,1,0|1,0,0]=3 3348 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,1,0|1,0,0]=3 3349 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,1,0|1,0,0]=3 3350 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,1,0|1,0,0]=3 3351 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,1,0|1,0,0]=3 3352 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,1,0|1,0,0]=3 3353 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,1,0|1,0,0]=3 3354 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,1,0|1,0,0]=3 3355 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,1,0|1,0,0]=3 3356 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,1,0|1,0,0]=3 3357 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,1,0|1,0,0]=3 3358 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,1,0|1,0,0]=3 3359 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,1,0|1,0,0]=3 3360 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,1,0|1,0,0]=3 3361 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,1,0|1,0,0]=3 3362 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,1,0|1,0,0]=3 3363 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,1,0|1,0,0]=3 3364 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,1,0|1,0,0]=3 3365 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,1,0|1,0,0]=3 3366 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,1,0|1,0,0]=3 3367 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,1,0|1,0,0]=3 3368 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,1,0|1,0,0]=3 3369 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,1,0|1,0,0]=3 3370 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,1,0|1,0,0]=3 3371 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,1,0|1,0,0]=3 3372 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,1,0|1,0,0]=3 3373 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,1,0|1,0,0]=3 3374 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,1,0|1,0,0]=3 3375 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,1,0|1,0,0]=3 3376 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,1,0|1,0,0]=3 3377 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,1,0|0,0,0]=2 3378 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,1,0|0,0,0]=2 3379 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,1,0|0,0,0]=2 3380 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,1,0|0,0,0]=2 3381 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,1,0|0,0,0]=2 3382 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,1,0|0,0,0]=2 3383 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,1,0|0,0,0]=2 3384 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,1,0,0,1,0|2,0,0]=4 3385 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,1,0,0,1,0|2,0,0]=4 3386 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,1,0|2,0,0]=4 3387 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,1,0|1,0,0]=3 3388 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,1,0|1,0,0]=3 3389 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,1,0|1,0,0]=3 3390 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,1,0|1,0,0]=3 3391 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,1,0|1,0,0]=3 3392 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,1,0|1,0,0]=3 3393 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,1,0|1,0,0]=3 3394 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,1,0|1,0,0]=3 3395 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,1,0|1,0,0]=3 3396 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,1,0|1,0,0]=3 3397 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,1,0|1,0,0]=3 3398 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,1,0|0,0,0]=2 3399 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,1,0,0,1,0|2,0,0]=4 3400 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,1,0,0,1,0|2,0,0]=4 3401 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,1,0,0,1,0|1,0,0]=3 3402 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,1,0|1,0,0]=3 3403 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,1,0|1,0,0]=3 3404 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,1,0|1,0,0]=3 3405 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,1,0|1,0,0]=3 3406 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,1,0|1,0,0]=3 3407 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,1,0|1,0,0]=3 3408 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,1,0|1,0,0]=3 3409 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,1,0|1,0,0]=3 3410 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,1,0|1,0,0]=3 3411 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,1,0|1,0,0]=3 3412 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,1,0|1,0,0]=3 3413 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,1,0|1,0,0]=3 3414 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,1,0|1,0,0]=3 3415 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,1,0|1,0,0]=3 3416 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,1,0|1,0,0]=3 3417 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,1,0|1,0,0]=3 3418 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,1,0|1,0,0]=3 3419 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,1,0|1,0,0]=3 3420 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,1,0|1,0,0]=3 3421 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,1,0|0,0,0]=2 3422 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,1,0|0,0,0]=2 3423 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,1,0|0,0,0]=2 3424 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,1,0|0,0,0]=2 3425 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,1,0,0,1,0|2,0,0]=4 3426 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,1,0,0,1,0|2,0,0]=4 3427 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,1,0,0,1,0|2,0,0]=4 3428 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,1,0,0,1,0|2,0,0]=4 3429 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,1,0,0,1,0|2,0,0]=4 3430 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,1,0,0,1,0|2,0,0]=4 3431 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,1,0,0,1,0|2,0,0]=4 3432 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,1,0,0,1,0|2,0,0]=4 3433 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,1,0,0,1,0|2,0,0]=4 3434 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,1,0,0,1,0|2,0,0]=4 3435 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,1,0,0,1,0|2,0,0]=4 3436 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,1,0|2,0,0]=4 3437 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,1,0,0,1,0|2,0,0]=4 3438 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,1,0,0,1,0|2,0,0]=4 3439 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,1,0,0,1,0|2,0,0]=4 3440 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,1,0,0,1,0|2,0,0]=4 3441 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,1,0,0,1,0|2,0,0]=4 3442 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,1,0,0,1,0|2,0,0]=4 3443 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,1,0,0,1,0|2,0,0]=4 3444 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,1,0,0,1,0|2,0,0]=4 3445 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,1,0,0,1,0|2,0,0]=4 3446 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,1,0,0,1,0|2,0,0]=4 3447 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,1,0,0,1,0|2,0,0]=4 3448 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,1,0,0,1,0|2,0,0]=4 3449 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,1,0,0,1,0|2,0,0]=4 3450 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,1,0,0,1,0|2,0,0]=4 3451 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,1,0,0,1,0|2,0,0]=4 3452 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,1,0,0,1,0|2,0,0]=4 3453 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,1,0,0,1,0|2,0,0]=4 3454 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,1,0,0,1,0|2,0,0]=4 3455 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,1,0,0,1,0|1,0,0]=3 3456 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,1,0,0,1,0|1,0,0]=3 3457 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,1,0,0,1,0|1,0,0]=3 3458 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,1,0,0,1,0|1,0,0]=3 3459 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,1,0,0,1,0|1,0,0]=3 3460 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,1,0,0,1,0|2,0,0]=4 3461 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,1,0,0,1,0|2,0,0]=4 3462 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,1,0,0,1,0|2,0,0]=4 3463 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,1,0,0,1,0|2,0,0]=4 3464 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,1,0,0,1,0|2,0,0]=4 3465 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,1,0,0,1,0|2,0,0]=4 3466 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,1,0|1,0,0]=3 3467 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,1,0|1,0,0]=3 3468 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,1,0|1,0,0]=3 3469 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,1,0|1,0,0]=3 3470 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,1,0|1,0,0]=3 3471 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,1,0|1,0,0]=3 3472 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,1,0|1,0,0]=3 3473 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,1,0|1,0,0]=3 3474 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,1,0|1,0,0]=3 3475 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,1,0|1,0,0]=3 3476 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,1,0|1,0,0]=3 3477 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,1,0|1,0,0]=3 3478 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,1,0|1,0,0]=3 3479 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,1,0|1,0,0]=3 3480 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,1,0|1,0,0]=3 3481 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,1,0|1,0,0]=3 3482 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,1,0|1,0,0]=3 3483 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,1,0|1,0,0]=3 3484 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,1,0|1,0,0]=3 3485 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,1,0|1,0,0]=3 3486 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,1,0|1,0,0]=3 3487 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,1,0|1,0,0]=3 3488 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,1,0|1,0,0]=3 3489 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,1,0|1,0,0]=3 3490 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,1,0|1,0,0]=3 3491 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,1,0|1,0,0]=3 3492 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,1,0|1,0,0]=3 3493 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,1,0|1,0,0]=3 3494 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,1,0|1,0,0]=3 3495 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,1,0|1,0,0]=3 3496 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,1,0|1,0,0]=3 3497 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,1,0|0,0,0]=2 3498 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,1,0|0,0,0]=2 3499 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,1,0|0,0,0]=2 3500 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,1,0|0,0,0]=2 3501 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,1,0|0,0,0]=2 3502 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,1,0|0,0,0]=2 3503 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,1,0|0,0,0]=2 3504 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,1,0|0,0,0]=2 3505 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,1,0|0,0,0]=2 3506 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,1,0|0,0,0]=2 3507 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,1,0|2,0,0]=4 3508 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [0,1,0,0,1,0|2,0,0]=4 3509 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [0,1,0,0,1,0|2,0,0]=4 3510 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [0,1,0,0,1,0|1,0,1]=4 3511 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,1,0|2,0,0]=4 3512 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,1,0|1,0,0]=3 3513 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,1,0|1,0,0]=3 3514 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,1,0|1,0,0]=3 3515 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,1,0|1,0,0]=3 3516 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,1,0|1,0,0]=3 3517 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,1,0|1,0,0]=3 3518 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,1,0|1,0,0]=3 3519 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,1,0|1,0,0]=3 3520 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,1,0|1,0,0]=3 3521 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,1,0|1,0,0]=3 3522 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,1,0|0,0,0]=2 3523 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,1,0,0,1,0|2,0,0]=4 3524 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,1,0,0,1,0|2,0,0]=4 3525 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,1,0,0,1,0|2,0,0]=4 3526 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,1,0,0,1,0|2,0,0]=4 3527 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,1,0,0,1,0|2,0,0]=4 3528 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,1,0|1,0,0]=3 3529 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,1,0|1,0,0]=3 3530 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,1,0|1,0,0]=3 3531 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,1,0|1,0,0]=3 3532 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,1,0|1,0,0]=3 3533 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,1,0|1,0,0]=3 3534 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,1,0|1,0,0]=3 3535 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,1,0|1,0,0]=3 3536 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,1,0|1,0,0]=3 3537 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,1,0|1,0,0]=3 3538 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,1,0|1,0,0]=3 3539 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,1,0|1,0,0]=3 3540 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,1,0|1,0,0]=3 3541 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,1,0|1,0,0]=3 3542 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,1,0|1,0,0]=3 3543 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,1,0|1,0,0]=3 3544 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,1,0|1,0,0]=3 3545 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,1,0|1,0,0]=3 3546 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,1,0|1,0,0]=3 3547 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,1,0|1,0,0]=3 3548 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,1,0|1,0,0]=3 3549 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,1,0|0,0,0]=2 3550 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,1,0|0,0,0]=2 3551 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,1,0|0,0,0]=2 3552 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,1,0|0,0,0]=2 3553 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,1,0|0,0,0]=2 3554 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,1,0,0,1,0|2,0,0]=4 3555 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,1,0,0,1,0|2,0,0]=4 3556 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,1,0,0,1,0|2,0,0]=4 3557 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,1,0,0,1,0|2,0,0]=4 3558 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,1,0,0,1,0|2,0,0]=4 3559 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,1,0,0,1,0|2,0,0]=4 3560 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,1,0|2,0,0]=4 3561 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,1,0|2,0,0]=4 3562 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,1,0|2,0,0]=4 3563 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,1,0|2,0,0]=4 3564 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,1,0|2,0,0]=4 3565 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,1,0|2,0,0]=4 3566 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,1,0,0,1,0|2,0,0]=4 3567 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,1,0,0,1,0|2,0,0]=4 3568 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,1,0,0,1,0|2,0,0]=4 3569 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,1,0,0,1,0|2,0,0]=4 3570 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,1,0,0,1,0|2,0,0]=4 3571 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,1,0,0,1,0|2,0,0]=4 3572 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,1,0,0,1,0|2,0,0]=4 3573 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,1,0,0,1,0|2,0,0]=4 3574 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,1,0,0,1,0|2,0,0]=4 3575 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,1,0,0,1,0|2,0,0]=4 3576 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,1,0,0,1,0|2,0,0]=4 3577 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,1,0,0,1,0|2,0,0]=4 3578 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,1,0,0,1,0|2,0,0]=4 3579 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,1,0,0,1,0|2,0,0]=4 3580 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,1,0,0,1,0|2,0,0]=4 3581 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,1,0,0,1,0|2,0,0]=4 3582 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,1,0,0,1,0|2,0,0]=4 3583 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,1,0,0,1,0|2,0,0]=4 3584 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,1,0,0,1,0|1,0,0]=3 3585 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,1,0,0,1,0|1,0,0]=3 3586 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,1,0,0,1,0|1,0,0]=3 3587 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,1,0,0,1,0|1,0,0]=3 3588 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,1,0,0,1,0|1,0,0]=3 3589 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,1,0,0,1,0|1,0,0]=3 3590 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,1,0,0,1,0|2,0,0]=4 3591 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,1,0,0,1,0|2,0,0]=4 3592 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,1,0,0,1,0|2,0,0]=4 3593 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,1,0,0,1,0|2,0,0]=4 3594 B11R1.167 C=C(C)c1cc(ncc1O)Cl 271570a_100000694244_100000698892 [0,1,0,0,1,0|2,0,0]=4 3595 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,1,0,0,1,0|2,0,0]=4 3596 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,1,0,0,1,0|2,0,0]=4 3597 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,1,0,0,1,0|2,0,0]=4 3598 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,1,0,0,1,0|2,0,0]=4 3599 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,1,0|1,0,0]=3 3600 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,1,0|1,0,0]=3 3601 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,1,0|1,0,0]=3 3602 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,1,0|1,0,0]=3 3603 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,1,0|1,0,0]=3 3604 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,1,0|1,0,0]=3 3605 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,1,0|1,0,0]=3 3606 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,1,0|1,0,0]=3 3607 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,1,0|1,0,0]=3 3608 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,1,0|1,0,0]=3 3609 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,1,0|1,0,0]=3 3610 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,1,0|1,0,0]=3 3611 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,1,0|1,0,0]=3 3612 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,1,0|1,0,0]=3 3613 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,1,0|1,0,0]=3 3614 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,1,0|1,0,0]=3 3615 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,1,0|1,0,0]=3 3616 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,1,0|1,0,0]=3 3617 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,1,0|1,0,0]=3 3618 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,1,0|1,0,0]=3 3619 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,1,0|1,0,0]=3 3620 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,1,0|1,0,0]=3 3621 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,1,0|1,0,0]=3 3622 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,1,0|1,0,0]=3 3623 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,1,0|1,0,0]=3 3624 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,1,0|1,0,0]=3 3625 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,1,0|1,0,0]=3 3626 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,1,0|1,0,0]=3 3627 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,1,0|1,0,0]=3 3628 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,1,0|1,0,0]=3 3629 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,1,0|1,0,0]=3 3630 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,1,0|1,0,0]=3 3631 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,1,0|1,0,0]=3 3632 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,1,0|1,0,0]=3 3633 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,1,0|0,0,0]=2 3634 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,1,0|0,0,0]=2 3635 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,1,0|0,0,0]=2 3636 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,1,0|0,0,0]=2 3637 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,1,0|0,0,0]=2 3638 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,1,0|0,0,0]=2 3639 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,1,0|0,0,0]=2 3640 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,1,0|0,0,0]=2 3641 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,1,0|0,0,0]=2 3642 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,1,0|0,0,0]=2 3643 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,1,0|0,0,0]=2 3644 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,1,0,0,1,0|2,0,0]=4 3645 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,1,0,0,1,0|2,0,0]=4 3646 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,1,0,0,1,0|2,0,0]=4 3647 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,1,0|1,0,0]=3 3648 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,1,0,0,1,0|2,0,0]=4 3649 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,1,0,0,1,0|2,0,0]=4 3650 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,1,0,0,1,0|1,0,1]=4 3651 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,1,0,0,1,0|1,0,1]=4 3652 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,1,0,0,1,0|1,0,1]=4 3653 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,1,0,0,1,0|2,0,0]=4 3654 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,1,0,0,1,0|0,0,2]=4 3655 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,1,0|1,0,0]=3 3656 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,1,0|1,0,0]=3 3657 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,1,0|1,0,0]=3 3658 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,1,0|1,0,0]=3 3659 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,1,0|1,0,0]=3 3660 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,1,0|1,0,0]=3 3661 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,1,0|0,0,0]=2 3662 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,1,0|2,0,0]=4 3663 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,1,0|1,0,0]=3 3664 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,1,0|1,0,0]=3 3665 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,1,0|1,0,0]=3 3666 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,1,0|1,0,0]=3 3667 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,1,0|1,0,0]=3 3668 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,1,0,0,1,0|2,0,0]=4 3669 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,1,0,0,1,0|2,0,0]=4 3670 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,1,0,0,1,0|1,0,0]=3 3671 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,1,0,0,1,0|1,0,0]=3 3672 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,1,0|1,0,0]=3 3673 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,1,0,0,1,0|1,0,0]=3 3674 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,1,0,0,1,0|2,0,0]=4 3675 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,1,0|1,0,0]=3 3676 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,1,0|1,0,0]=3 3677 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,1,0|1,0,0]=3 3678 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,1,0|1,0,0]=3 3679 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,1,0|1,0,0]=3 3680 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,1,0|1,0,0]=3 3681 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,1,0|1,0,0]=3 3682 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,1,0|1,0,0]=3 3683 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,1,0|1,0,0]=3 3684 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,1,0|1,0,0]=3 3685 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,1,0|1,0,0]=3 3686 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,1,0|1,0,0]=3 3687 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,1,0|1,0,0]=3 3688 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,1,0|1,0,0]=3 3689 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,1,0|1,0,0]=3 3690 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,1,0|1,0,0]=3 3691 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,1,0|1,0,0]=3 3692 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,1,0|1,0,0]=3 3693 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,1,0|1,0,0]=3 3694 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,1,0|1,0,0]=3 3695 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,1,0|0,0,0]=2 3696 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,1,0|0,0,0]=2 3697 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,1,0|0,0,0]=2 3698 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,1,0|0,0,0]=2 3699 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,1,0|0,0,0]=2 3700 B13R1.90 C#Cc1ccccc1CNC(=O)C 11a_100020634229_100015343762 [0,1,0,0,0,1|1,0,0]=3 3701 B13R1.90 C#Cc1ccccc1CNC(=O)C 1626a_100020634229_100015343762 [0,1,0,0,0,1|1,0,0]=3 3702 B13R1.90 C#Cc1ccccc1CNC(=O)C 240690a_100020634229_100015343762 [0,1,0,0,0,1|1,0,0]=3 3703 B13R1.90 C#Cc1ccccc1CNC(=O)C 527a_100020634229_100103153847 [0,1,0,0,0,1|1,0,0]=3 3704 B13R1.90 C#Cc1ccccc1NCC(=C)C 34a_100011470550_100000748629 [0,1,0,0,0,1|2,0,0]=4 3705 B13R1.90 C#Cc1ccccc1NCC(=O)N 34a_100011470550_100000187820 [0,1,0,0,0,1|2,0,0]=4 3706 B13R1.90 C#Cc1ccccc1NCC(=O)[O-] 34a_100011470550_100020667443 [0,1,0,0,0,1|2,0,0]=4 3707 B13R1.90 C=C(C)CNc1ccccc1C#N 34a_100000211148_100000748629 [0,1,0,0,0,1|2,0,0]=4 3708 B13R1.90 C=C(C)CNc1ccccc1CC 2230a_100000212081_100000748629 [0,1,0,0,0,1|2,0,0]=4 3709 B13R1.90 C=C(C)CNc1ccccc1CC 34a_100000212081_100000748629 [0,1,0,0,0,1|2,0,0]=4 3710 B13R1.90 C=C(C)CNc1ccccc1CC 7a_100000212081_100000748629 [0,1,0,0,0,1|2,0,0]=4 3711 B13R1.90 C=C(C)CNc1ccccc1CO 34a_100000212039_100000748629 [0,1,0,0,0,1|1,0,0]=3 3712 B13R1.90 C=C(C)CNc1ccccc1OC 34a_100000210025_100000748629 [0,1,0,0,0,1|1,0,0]=3 3713 B13R1.90 C=C(C)CNc1ccccc1SC 34a_100000211160_100000748629 [0,1,0,0,0,1|1,1,0]=4 3714 B13R1.90 C=C(C)CNc1ccncc1CO 27a_100000765925_100000117392 [0,1,0,0,0,1|2,0,0]=4 3715 B13R1.90 C=C(C)COc1ccccc1CO 34a_100011216872_100000748629 [0,1,0,0,0,1|2,0,0]=4 3716 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [0,1,0,0,0,1|2,0,0]=4 3717 B13R1.90 C=C(C)CSc1ccccc1CO 62a_100000187465_100000211660 [0,1,0,0,0,1|2,0,0]=4 3718 B13R1.90 C=C(C)CSc1ccccc1CO 62a_100000748629_100000187465 [0,1,0,0,0,1|2,0,0]=4 3719 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000210334_100000211660 [0,1,0,0,0,1|2,0,0]=4 3720 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000748629_100000210334 [0,1,0,0,0,1|2,0,0]=4 3721 B13R1.90 C=C(F)CNc1ccccc1CO 34a_100000212039_100009893438 [0,1,0,0,0,1|1,0,1]=4 3722 B13R1.90 C=C(F)CNc1ccccc1OC 34a_100000210025_100009893438 [0,1,0,0,0,1|1,0,1]=4 3723 B13R1.90 C=Cc1ccccc1CNC(=O)C 271570a_100011290941_100011237613 [0,1,0,0,0,1|1,0,0]=3 3724 B13R1.90 C=Cc1ccccc1NCC(=C)C 34a_100012022501_100000748629 [0,1,0,0,0,1|2,0,0]=4 3725 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [0,1,0,0,0,1|2,0,0]=4 3726 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [0,1,0,0,0,1|2,0,0]=4 3727 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,1,0,0,0,1|2,0,0]=4 3728 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000025266_200000210301 [0,1,0,0,0,1|2,0,0]=4 3729 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000070787_200013032965 [0,1,0,0,0,1|2,0,0]=4 3730 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [0,1,0,0,0,1|1,0,1]=4 3731 B13R1.90 CC(=O)COc1ccccc1C#N 1458a_100000182527_200000210301 [0,1,0,0,0,1|2,0,0]=4 3732 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [0,1,0,0,0,1|1,0,0]=3 3733 B13R1.90 CC(=O)NCc1ccccc1C#N 11a_100016989011_100015343762 [0,1,0,0,0,1|1,0,0]=3 3734 B13R1.90 CC(=O)NCc1ccccc1C#N 1626a_100016989011_100015343762 [0,1,0,0,0,1|1,0,0]=3 3735 B13R1.90 CC(=O)NCc1ccccc1C#N 240690a_100016989011_100015343762 [0,1,0,0,0,1|1,0,0]=3 3736 B13R1.90 CC(=O)NCc1ccccc1C#N 527a_100016989011_100103153847 [0,1,0,0,0,1|1,0,0]=3 3737 B13R1.90 CC(=O)NCc1ccccc1CO 240690a_100000743596_100015343762 [0,1,0,0,0,1|0,0,0]=2 3738 B13R1.90 CC(=O)NCc1ccccc1CO 527a_100000743596_100103153847 [0,1,0,0,0,1|0,0,0]=2 3739 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 34a_200011628774_200025704644 [0,1,0,0,0,1|0,0,0]=2 3740 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 7a_200011628774_200025704644 [0,1,0,0,0,1|0,0,0]=2 3741 B13R1.90 CC(=O)NCc1ccccc1S[13CH3] 62a_100011237613_200025704644 [0,1,0,0,0,1|0,1,0]=3 3742 B13R1.90 CC(=O)NCc1ccccc1S[13CH3] 62a_200025704644_100011237613 [0,1,0,0,0,1|0,1,0]=3 3743 B13R1.90 CC(=O)NNc1ccccc1C#N 22a_100016988835_100000070787 [0,1,0,0,0,1|1,0,0]=3 3744 B13R1.90 CC(C)CNc1ccccc1CO 34a_100000212039_100000210624 [0,1,0,0,0,1|1,0,1]=4 3745 B13R1.90 CC(C)NCc1ccccc1CO 2230a_100138425928_100009816955 [0,1,0,0,0,1|1,0,1]=4 3746 B13R1.90 CC(C)NCc1ccccc1CO 34a_100138425928_100009816955 [0,1,0,0,0,1|1,0,1]=4 3747 B13R1.90 CC(O)CNc1ccccc1CO 34a_100000212039_100011218427 [0,1,0,0,0,1|0,0,2]=4 3748 B13R1.90 CCc1ccccc1NCC(=O)N 2230a_100000212081_100000747473 [0,1,0,0,0,1|2,0,0]=4 3749 B13R1.90 CCc1ccccc1NCC(=O)N 34a_100000212081_100000187820 [0,1,0,0,0,1|2,0,0]=4 3750 B13R1.90 CCc1ccccc1NCC(=O)N 7a_100000212081_100000187820 [0,1,0,0,0,1|2,0,0]=4 3751 B13R1.90 CCc1ccccc1NCC(=O)[O-] 34a_100000212081_100020667443 [0,1,0,0,0,1|2,0,0]=4 3752 B13R1.90 CCc1ccccc1NNC(=O)C 22a_100000737054_100000070787 [0,1,0,0,0,1|1,0,0]=3 3753 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,1,0,0,0,1|2,0,0]=4 3754 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,1,0,0,0,1|2,0,0]=4 3755 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,1,0,0,0,1|1,0,0]=3 3756 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,1,0,0,0,1|1,0,0]=3 3757 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,1,0,0,0,1|1,0,0]=3 3758 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,1,0,0,0,1|1,0,0]=3 3759 B13R1.90 COc1ccccc1CCC(=O)N 34a_100011200845_200000210301 [0,1,0,0,0,1|2,0,0]=4 3760 B13R1.90 COc1ccccc1CCC(=O)N 7a_100011200845_200000210301 [0,1,0,0,0,1|2,0,0]=4 3761 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,1,0,0,0,1|1,0,0]=3 3762 B13R1.90 COc1ccccc1CNC(=O)C 11a_100000188900_100015343762 [0,1,0,0,0,1|0,0,0]=2 3763 B13R1.90 COc1ccccc1CNC(=O)C 1626a_100000188900_100015343762 [0,1,0,0,0,1|0,0,0]=2 3764 B13R1.90 COc1ccccc1CNC(=O)C 240690a_100000188900_100015343762 [0,1,0,0,0,1|0,0,0]=2 3765 B13R1.90 COc1ccccc1CNC(=O)C 34a_200011628774_200000210301 [0,1,0,0,0,1|0,0,0]=2 3766 B13R1.90 COc1ccccc1CNC(=O)C 527a_100000188900_100103153847 [0,1,0,0,0,1|0,0,0]=2 3767 B13R1.90 COc1ccccc1CNC(=O)C 7a_200011628774_200000210301 [0,1,0,0,0,1|0,0,0]=2 3768 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [0,1,0,0,0,1|1,0,1]=4 3769 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [0,1,0,0,0,1|1,0,1]=4 3770 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [0,1,0,0,0,1|1,0,1]=4 3771 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [0,1,0,0,0,1|1,0,1]=4 3772 B13R1.90 COc1ccccc1NCC(=O)N 34a_100000210025_100000187820 [0,1,0,0,0,1|1,0,0]=3 3773 B13R1.90 COc1ccccc1NCC(=O)[O-] 34a_100000210025_100020667443 [0,1,0,0,0,1|1,0,0]=3 3774 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [0,1,0,0,0,1|1,0,1]=4 3775 B13R1.90 COc1ccccc1NCC(C)O 34a_100000210025_100011218427 [0,1,0,0,0,1|0,0,2]=4 3776 B13R1.90 COc1ccccc1NC[C@@H](C)O 34a_100000210025_100009817552 [0,1,0,0,0,1|0,0,2]=4 3777 B13R1.90 COc1ccccc1NC[N+](=O)[O-] 34a_100000210025_100000761209 [0,1,0,0,0,1|2,0,0]=4 3778 B13R1.90 COc1ccccc1NNC(=O)C 22a_100000751209_100000070787 [0,1,0,0,0,1|0,0,0]=2 3779 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,1,0,0,0,1|1,0,0]=3 3780 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,1,0,0,0,1|2,0,0]=4 3781 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,1,0,0,0,1|2,0,0]=4 3782 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,1,0,0,0,1|1,0,0]=3 3783 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,1,0,0,0,1|2,0,0]=4 3784 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000210334_100000747473 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000747473_100000210334 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100000210334_100020667443 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210334 [0,1,0,0,0,1|2,0,0]=4 3788 B13R1.90 COc1cccnc1NNC(=O)C 22a_100012020716_100000070787 [0,1,0,0,0,1|1,0,0]=3 3789 B13R1.90 COc1cncnc1NNC(=O)C 22a_100012020510_100000070787 [0,1,0,0,0,1|2,0,0]=4 3790 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,1,0,0,0,1|2,0,0]=4 3791 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,1,0,0,0,1|2,0,0]=4 3792 B13R1.90 COc1ncccc1CNC(=O)C 11a_100102524934_100015343762 [0,1,0,0,0,1|1,0,0]=3 3793 B13R1.90 COc1ncccc1CNC(=O)C 1626a_100102524934_100015343762 [0,1,0,0,0,1|1,0,0]=3 3794 B13R1.90 COc1ncccc1CNC(=O)C 240690a_100102524934_100015343762 [0,1,0,0,0,1|1,0,0]=3 3795 B13R1.90 COc1ncccc1CNC(=O)C 527a_100102524934_100103153847 [0,1,0,0,0,1|1,0,0]=3 3796 B13R1.90 COc1ncccc1NNC(=O)C 22a_100159270702_100000070787 [0,1,0,0,0,1|1,0,0]=3 3797 B13R1.90 COc1nccnc1NNC(=O)C 22a_100000702116_100000070787 [0,1,0,0,0,1|2,0,0]=4 3798 B13R1.90 CSc1ccccc1CNC(=O)C 11a_102495365025_100015343762 [0,1,0,0,0,1|0,1,0]=3 3799 B13R1.90 CSc1ccccc1CNC(=O)C 1626a_102495365025_100015343762 [0,1,0,0,0,1|0,1,0]=3 3800 B13R1.90 CSc1ccccc1CNC(=O)C 240690a_102495365025_100015343762 [0,1,0,0,0,1|0,1,0]=3 3801 B13R1.90 CSc1ccccc1CNC(=O)C 527a_102495365025_100103153847 [0,1,0,0,0,1|0,1,0]=3 3802 B13R1.90 CSc1ccccc1CNC(=O)C 62a_100011237613_200000210301 [0,1,0,0,0,1|0,1,0]=3 3803 B13R1.90 CSc1ccccc1CNC(=O)C 62a_200000210301_100011237613 [0,1,0,0,0,1|0,1,0]=3 3804 B13R1.90 CSc1ccccc1NCC(=O)N 34a_100000211160_100000187820 [0,1,0,0,0,1|1,1,0]=4 3805 B13R1.90 CSc1ccccc1NCC(=O)[O-] 34a_100000211160_100020667443 [0,1,0,0,0,1|1,1,0]=4 3806 B13R1.90 C[C@@H](O)CNc1ccccc1CO 34a_100000212039_100009817552 [0,1,0,0,0,1|0,0,2]=4 3807 B13R1.90 N#Cc1ccccc1NCC(=O)N 34a_100000211148_100000187820 [0,1,0,0,0,1|2,0,0]=4 3808 B13R1.90 N#Cc1ccccc1NCC(=O)[O-] 34a_100000211148_100020667443 [0,1,0,0,0,1|2,0,0]=4 3809 B13R1.90 NC(=O)CNc1ccccc1CO 34a_100000212039_100000187820 [0,1,0,0,0,1|1,0,0]=3 3810 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [0,1,0,0,0,1|2,0,0]=4 3811 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000187465_100000747473 [0,1,0,0,0,1|2,0,0]=4 3812 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000747473_100000187465 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.90 O=C([O-])CNc1ccccc1CO 34a_100000212039_100020667443 [0,1,0,0,0,1|1,0,0]=3 3814 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [0,1,0,0,0,1|2,0,0]=4 3815 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100000187465_100020667443 [0,1,0,0,0,1|2,0,0]=4 3816 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100020667443_100000187465 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.90 O=[N+]([O-])CNc1ccccc1CO 34a_100000212039_100000761209 [0,1,0,0,0,1|2,0,0]=4 3818 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,1,0,0,0,1|2,0,0]=4 3819 B13R1.90 [13CH3]C(=O)CCc1ccccc1C#N 1458a_100000025266_200025704644 [0,1,0,0,0,1|2,0,0]=4 3820 B13R1.90 [13CH3]C(=O)COc1ccccc1C#N 1458a_100000182527_200025704644 [0,1,0,0,0,1|2,0,0]=4 3821 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [0,1,0,0,0,1|1,0,0]=3 3822 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 34a_100011200845_200025704644 [0,1,0,0,0,1|2,0,0]=4 3823 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 7a_100011200845_200025704644 [0,1,0,0,0,1|2,0,0]=4 3824 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,1,0,0,0,1|2,0,0]=4 3825 B13R1.150 C=C(C)CNc1cccc(c1Br)C 34a_100000684715_100000748629 [0,1,0,0,0,1|2,0,0]=4 3826 B13R1.150 C=C(C)CNc1cccc(c1Br)Cl 34a_100000687072_100000748629 [0,1,0,0,0,1|2,0,0]=4 3827 B13R1.150 C=C(C)CNc1cccc(c1Br)F 34a_100011934729_100000748629 [0,1,0,0,0,1|2,0,0]=4 3828 B13R1.150 C=C(C)CNc1cccc(c1Br)O 34a_100012183704_100000748629 [0,1,0,0,0,1|2,0,0]=4 3829 B13R1.150 C=C(C)CNc1cccc(c1Br)O 7a_100012183704_100000748629 [0,1,0,0,0,1|2,0,0]=4 3830 B13R1.150 C=C(C)CNc1cccc(c1C)Br 34a_100000750434_100000748629 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.150 C=C(C)CNc1cccc(c1C)C 2230a_100000210026_100000748629 [0,1,0,0,0,1|2,0,0]=4 3832 B13R1.150 C=C(C)CNc1cccc(c1C)C 34a_100000210026_100000748629 [0,1,0,0,0,1|2,0,0]=4 3833 B13R1.150 C=C(C)CNc1cccc(c1C)C 7a_100000210026_100000748629 [0,1,0,0,0,1|2,0,0]=4 3834 B13R1.150 C=C(C)CNc1cccc(c1C)Cl 2230a_100000210441_100000748629 [0,1,0,0,0,1|2,0,0]=4 3835 B13R1.150 C=C(C)CNc1cccc(c1C)Cl 34a_100000210441_100000748629 [0,1,0,0,0,1|2,0,0]=4 3836 B13R1.150 C=C(C)CNc1cccc(c1C)Cl 7a_100000210441_100000748629 [0,1,0,0,0,1|2,0,0]=4 3837 B13R1.150 C=C(C)CNc1cccc(c1C)F 34a_100000745574_100000748629 [0,1,0,0,0,1|2,0,0]=4 3838 B13R1.150 C=C(C)CNc1cccc(c1C)F 7a_100000745574_100000748629 [0,1,0,0,0,1|2,0,0]=4 3839 B13R1.150 C=C(C)CNc1cccc(c1C)I 34a_100000761887_100000748629 [0,1,0,0,0,1|2,0,0]=4 3840 B13R1.150 C=C(C)CNc1cccc(c1C)O 34a_100011216573_100000748629 [0,1,0,0,0,1|2,0,0]=4 3841 B13R1.150 C=C(C)CNc1cccc(c1C)O 7a_100011216573_100000748629 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.150 C=C(C)CNc1cccc(c1Cl)Br 34a_100000687075_100000748629 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 34a_100000765562_100000748629 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 7a_100000765562_100000748629 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.150 C=C(C)CNc1cccc(c1Cl)Cl 34a_100000185733_100000748629 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.150 C=C(C)CNc1cccc(c1Cl)F 34a_100000692321_100000748629 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.150 C=C(C)CNc1cccc(c1Cl)O 34a_100012002038_100000748629 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.150 C=C(C)CNc1cccc(c1Cl)O 7a_100012002038_100000748629 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.150 C=C(C)CNc1cccc(c1F)Br 2230a_100011935091_100000748629 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.150 C=C(C)CNc1cccc(c1F)Br 34a_100011935091_100000748629 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.150 C=C(C)CNc1cccc(c1F)C 2230a_100000697159_100000748629 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.150 C=C(C)CNc1cccc(c1F)C 34a_100000697159_100000748629 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.150 C=C(C)CNc1cccc(c1F)C 7a_100000697159_100000748629 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.150 C=C(C)CNc1cccc(c1F)Cl 2230a_100000199060_100000748629 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.150 C=C(C)CNc1cccc(c1F)Cl 34a_100000199060_100000748629 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.150 C=C(C)CNc1cccc(c1F)F 34a_100000743855_100000748629 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.150 C=C(C)CNc1cccc(c1I)Br 34a_100020590159_100000748629 [0,1,0,0,0,1|2,0,0]=4 3858 B13R1.150 C=C(C)CNc1cccc(c1I)C 34a_100000761888_100000748629 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.150 C=C(C)CNc1cccc(c1I)Cl 34a_100000049713_100000748629 [0,1,0,0,0,1|2,0,0]=4 3860 B13R1.150 C=C(C)CNc1cccc(c1I)F 34a_100000690935_100000748629 [0,1,0,0,0,1|2,0,0]=4 3861 B13R1.150 C=C(C)CNc1cccc(c1O)Br 34a_100011934915_100000748629 [0,1,0,0,0,1|1,0,0]=3 3862 B13R1.150 C=C(C)CNc1cccc(c1O)C 34a_100000756359_100000748629 [0,1,0,0,0,1|1,0,0]=3 3863 B13R1.150 C=C(C)CNc1cccc(c1O)Cl 34a_100000754742_100000748629 [0,1,0,0,0,1|1,0,0]=3 3864 B13R1.150 C=C(C)CNc1cccc(c1O)F 34a_100011934987_100000748629 [0,1,0,0,0,1|1,0,0]=3 3865 B13R1.150 C=C(C)CSc1cccc(c1O)Br 62a_100000748629_100010084509 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.150 C=C(C)CSc1cccc(c1O)Br 62a_100010084509_100000211660 [0,1,0,0,0,1|2,0,0]=4 3867 B13R1.150 C=C(C)CSc1cccc(c1O)C 62a_100000748629_100009817157 [0,1,0,0,0,1|2,0,0]=4 3868 B13R1.150 C=C(C)CSc1cccc(c1O)C 62a_100009817157_100000211660 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.150 C=C(C)CSc1cccc(c1O)Cl 62a_100000748629_100010202889 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.150 C=C(C)CSc1cccc(c1O)Cl 62a_100010202889_100000211660 [0,1,0,0,0,1|2,0,0]=4 3871 B13R1.150 C=C(C)CSc1cccc(c1O)F 62a_100000748629_100009813666 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.150 C=C(C)CSc1cccc(c1O)F 62a_100009813666_100000211660 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.150 C=C(C)CSc1cccc(c1O)N 62a_100000748629_100010084371 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.150 C=C(C)CSc1cccc(c1O)N 62a_100011934915_100000211660 [0,1,0,0,0,1|2,0,0]=4 3875 B13R1.150 C=C(C)CSc1cccc(c1O)O 62a_100000748629_100009815950 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.150 C=C(F)CNc1cccc(c1O)Br 34a_100011934915_100009893438 [0,1,0,0,0,1|1,0,1]=4 3877 B13R1.150 C=C(F)CNc1cccc(c1O)C 34a_100000756359_100009893438 [0,1,0,0,0,1|1,0,1]=4 3878 B13R1.150 C=C(F)CNc1cccc(c1O)Cl 34a_100000754742_100009893438 [0,1,0,0,0,1|1,0,1]=4 3879 B13R1.150 C=C(F)CNc1cccc(c1O)F 34a_100011934987_100009893438 [0,1,0,0,0,1|1,0,1]=4 3880 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [0,1,0,0,0,1|2,0,0]=4 3881 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [0,1,0,0,0,1|2,0,0]=4 3882 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [0,1,0,0,0,1|2,0,0]=4 3883 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [0,1,0,0,0,1|2,0,0]=4 3884 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [0,1,0,0,0,1|2,0,0]=4 3885 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [0,1,0,0,0,1|2,0,0]=4 3886 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [0,1,0,0,0,1|2,0,0]=4 3887 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000070787_100000723033 [0,1,0,0,0,1|2,0,0]=4 3888 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200000210301 [0,1,0,0,0,1|2,0,0]=4 3889 B13R1.150 CC(=O)CCc1cccc(c1F)Br 1458a_100012349569_200000210301 [0,1,0,0,0,1|2,0,0]=4 3890 B13R1.150 CC(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200000210301 [0,1,0,0,0,1|2,0,0]=4 3891 B13R1.150 CC(=O)CCc1cccc(c1F)F 1458a_100000748811_200000210301 [0,1,0,0,0,1|2,0,0]=4 3892 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,1,0,0,0,1|1,0,0]=3 3893 B13R1.150 CC(=O)COc1cccc(c1C)C 1458a_200000183798_200000210301 [0,1,0,0,0,1|2,0,0]=4 3894 B13R1.150 CC(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200000210301 [0,1,0,0,0,1|2,0,0]=4 3895 B13R1.150 CC(=O)NCc1cccc(c1Br)F 11a_100020638964_100015343762 [0,1,0,0,0,1|1,0,0]=3 3896 B13R1.150 CC(=O)NCc1cccc(c1Br)F 1626a_100020638964_100015343762 [0,1,0,0,0,1|1,0,0]=3 3897 B13R1.150 CC(=O)NCc1cccc(c1Br)F 240690a_100020638964_100015343762 [0,1,0,0,0,1|1,0,0]=3 3898 B13R1.150 CC(=O)NCc1cccc(c1Br)F 527a_100020638964_100103153847 [0,1,0,0,0,1|1,0,0]=3 3899 B13R1.150 CC(=O)NCc1cccc(c1C)Br 11a_100000724210_100015343762 [0,1,0,0,0,1|1,0,0]=3 3900 B13R1.150 CC(=O)NCc1cccc(c1C)Br 1626a_100000724210_100015343762 [0,1,0,0,0,1|1,0,0]=3 3901 B13R1.150 CC(=O)NCc1cccc(c1C)Br 240690a_100000724210_100015343762 [0,1,0,0,0,1|1,0,0]=3 3902 B13R1.150 CC(=O)NCc1cccc(c1C)Br 527a_100000724210_100103153847 [0,1,0,0,0,1|1,0,0]=3 3903 B13R1.150 CC(=O)NCc1cccc(c1C)C 11a_100011211637_100015343762 [0,1,0,0,0,1|1,0,0]=3 3904 B13R1.150 CC(=O)NCc1cccc(c1C)C 1626a_100011211637_100015343762 [0,1,0,0,0,1|1,0,0]=3 3905 B13R1.150 CC(=O)NCc1cccc(c1C)C 240690a_100011211637_100015343762 [0,1,0,0,0,1|1,0,0]=3 3906 B13R1.150 CC(=O)NCc1cccc(c1C)C 527a_100011211637_100103153847 [0,1,0,0,0,1|1,0,0]=3 3907 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 11a_100020639605_100015343762 [0,1,0,0,0,1|1,0,0]=3 3908 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 1626a_100020639605_100015343762 [0,1,0,0,0,1|1,0,0]=3 3909 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 240690a_100020639605_100015343762 [0,1,0,0,0,1|1,0,0]=3 3910 B13R1.150 CC(=O)NCc1cccc(c1C)Cl 527a_100020639605_100103153847 [0,1,0,0,0,1|1,0,0]=3 3911 B13R1.150 CC(=O)NCc1cccc(c1C)F 11a_100132306986_100015343762 [0,1,0,0,0,1|1,0,0]=3 3912 B13R1.150 CC(=O)NCc1cccc(c1C)F 1626a_100132306986_100015343762 [0,1,0,0,0,1|1,0,0]=3 3913 B13R1.150 CC(=O)NCc1cccc(c1C)F 240690a_100132306986_100015343762 [0,1,0,0,0,1|1,0,0]=3 3914 B13R1.150 CC(=O)NCc1cccc(c1C)F 527a_100132306986_100103153847 [0,1,0,0,0,1|1,0,0]=3 3915 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 11a_100025705714_100015343762 [0,1,0,0,0,1|1,0,0]=3 3916 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 1626a_100025705714_100015343762 [0,1,0,0,0,1|1,0,0]=3 3917 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 240690a_100025705714_100015343762 [0,1,0,0,0,1|1,0,0]=3 3918 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 527a_100025705714_100103153847 [0,1,0,0,0,1|1,0,0]=3 3919 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 11a_100011211633_100015343762 [0,1,0,0,0,1|1,0,0]=3 3920 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 1626a_100011211633_100015343762 [0,1,0,0,0,1|1,0,0]=3 3921 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 240690a_100011211633_100015343762 [0,1,0,0,0,1|1,0,0]=3 3922 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 527a_100011211633_100103153847 [0,1,0,0,0,1|1,0,0]=3 3923 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 11a_100012001614_100015343762 [0,1,0,0,0,1|1,0,0]=3 3924 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 1626a_100012001614_100015343762 [0,1,0,0,0,1|1,0,0]=3 3925 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 240690a_100012001614_100015343762 [0,1,0,0,0,1|1,0,0]=3 3926 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 527a_100012001614_100103153847 [0,1,0,0,0,1|1,0,0]=3 3927 B13R1.150 CC(=O)NCc1cccc(c1F)Br 11a_100015189953_100015343762 [0,1,0,0,0,1|1,0,0]=3 3928 B13R1.150 CC(=O)NCc1cccc(c1F)Br 1626a_100015189953_100015343762 [0,1,0,0,0,1|1,0,0]=3 3929 B13R1.150 CC(=O)NCc1cccc(c1F)Br 240690a_100015189953_100015343762 [0,1,0,0,0,1|1,0,0]=3 3930 B13R1.150 CC(=O)NCc1cccc(c1F)Br 527a_100015189953_100103153847 [0,1,0,0,0,1|1,0,0]=3 3931 B13R1.150 CC(=O)NCc1cccc(c1F)C 11a_100012002060_100015343762 [0,1,0,0,0,1|1,0,0]=3 3932 B13R1.150 CC(=O)NCc1cccc(c1F)C 1626a_100012002060_100015343762 [0,1,0,0,0,1|1,0,0]=3 3933 B13R1.150 CC(=O)NCc1cccc(c1F)C 240690a_100012002060_100015343762 [0,1,0,0,0,1|1,0,0]=3 3934 B13R1.150 CC(=O)NCc1cccc(c1F)C 527a_100012002060_100103153847 [0,1,0,0,0,1|1,0,0]=3 3935 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 11a_100000764326_100015343762 [0,1,0,0,0,1|1,0,0]=3 3936 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 1626a_100000764326_100015343762 [0,1,0,0,0,1|1,0,0]=3 3937 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 240690a_100000764326_100015343762 [0,1,0,0,0,1|1,0,0]=3 3938 B13R1.150 CC(=O)NCc1cccc(c1F)Cl 527a_100000764326_100103153847 [0,1,0,0,0,1|1,0,0]=3 3939 B13R1.150 CC(=O)NCc1cccc(c1F)F 11a_100011199105_100015343762 [0,1,0,0,0,1|1,0,0]=3 3940 B13R1.150 CC(=O)NCc1cccc(c1F)F 1626a_100011199105_100015343762 [0,1,0,0,0,1|1,0,0]=3 3941 B13R1.150 CC(=O)NCc1cccc(c1F)F 240690a_100011199105_100015343762 [0,1,0,0,0,1|1,0,0]=3 3942 B13R1.150 CC(=O)NCc1cccc(c1F)F 527a_100011199105_100103153847 [0,1,0,0,0,1|1,0,0]=3 3943 B13R1.150 CC(=O)NCc1cccc(c1F)O 240690a_100025773512_100015343762 [0,1,0,0,0,1|1,0,0]=3 3944 B13R1.150 CC(=O)NCc1cccc(c1F)O 527a_100025773512_100103153847 [0,1,0,0,0,1|1,0,0]=3 3945 B13R1.150 CC(=O)NCc1cccc(c1O)C 11a_100020639391_100015343762 [0,1,0,0,0,1|0,0,0]=2 3946 B13R1.150 CC(=O)NCc1cccc(c1O)C 240690a_100020639391_100015343762 [0,1,0,0,0,1|0,0,0]=2 3947 B13R1.150 CC(=O)NCc1cccc(c1O)C 527a_100020639391_100103153847 [0,1,0,0,0,1|0,0,0]=2 3948 B13R1.150 CC(=O)NNc1cccc(c1Br)Cl 22a_100102837889_100000070787 [0,1,0,0,0,1|1,0,0]=3 3949 B13R1.150 CC(=O)NNc1cccc(c1C)C 22a_100020604495_100000070787 [0,1,0,0,0,1|1,0,0]=3 3950 B13R1.150 CC(=O)NNc1cccc(c1C)Cl 22a_100000738547_100000070787 [0,1,0,0,0,1|1,0,0]=3 3951 B13R1.150 CC(=O)NNc1cccc(c1Cl)Cl 22a_100000009159_100000070787 [0,1,0,0,0,1|1,0,0]=3 3952 B13R1.150 CC(=O)NNc1cccc(c1Cl)F 22a_100000122369_100000070787 [0,1,0,0,0,1|1,0,0]=3 3953 B13R1.150 CC(=O)NNc1cccc(c1F)Cl 22a_100000746303_100000070787 [0,1,0,0,0,1|1,0,0]=3 3954 B13R1.150 CC(=O)NNc1cccc(c1F)F 22a_100020612164_100000070787 [0,1,0,0,0,1|1,0,0]=3 3955 B13R1.150 CC(C)CNc1cccc(c1O)Br 34a_100011934915_100000210624 [0,1,0,0,0,1|1,0,1]=4 3956 B13R1.150 CC(C)CNc1cccc(c1O)Cl 34a_100000754742_100000210624 [0,1,0,0,0,1|1,0,1]=4 3957 B13R1.150 CC(C)CNc1cccc(c1O)F 34a_100011934987_100000210624 [0,1,0,0,0,1|1,0,1]=4 3958 B13R1.150 CC(O)CNc1cccc(c1O)Br 34a_100011934915_100011218427 [0,1,0,0,0,1|0,0,2]=4 3959 B13R1.150 CC(O)CNc1cccc(c1O)Cl 34a_100000754742_100011218427 [0,1,0,0,0,1|0,0,2]=4 3960 B13R1.150 CC(O)CNc1cccc(c1O)F 34a_100011934987_100011218427 [0,1,0,0,0,1|0,0,2]=4 3961 B13R1.150 C[C@@H](O)CNc1cccc(c1O)Br 34a_100011934915_100009817552 [0,1,0,0,0,1|0,0,2]=4 3962 B13R1.150 C[C@@H](O)CNc1cccc(c1O)Cl 34a_100000754742_100009817552 [0,1,0,0,0,1|0,0,2]=4 3963 B13R1.150 C[C@@H](O)CNc1cccc(c1O)F 34a_100011934987_100009817552 [0,1,0,0,0,1|0,0,2]=4 3964 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [0,1,0,0,0,1|2,0,0]=4 3965 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [0,1,0,0,0,1|2,0,0]=4 3966 B13R1.150 Cc1c(cccc1NCC(=O)N)Br 34a_100000750434_100000187820 [0,1,0,0,0,1|2,0,0]=4 3967 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 2230a_100000210441_100000747473 [0,1,0,0,0,1|2,0,0]=4 3968 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 34a_100000210441_100000187820 [0,1,0,0,0,1|2,0,0]=4 3969 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 7a_100000210441_100000187820 [0,1,0,0,0,1|2,0,0]=4 3970 B13R1.150 Cc1c(cccc1NCC(=O)N)F 34a_100000745574_100000187820 [0,1,0,0,0,1|2,0,0]=4 3971 B13R1.150 Cc1c(cccc1NCC(=O)N)F 7a_100000745574_100000187820 [0,1,0,0,0,1|2,0,0]=4 3972 B13R1.150 Cc1c(cccc1NCC(=O)N)I 34a_100000761887_100000187820 [0,1,0,0,0,1|2,0,0]=4 3973 B13R1.150 Cc1c(cccc1NCC(=O)N)O 34a_100011216573_100000187820 [0,1,0,0,0,1|2,0,0]=4 3974 B13R1.150 Cc1c(cccc1NCC(=O)N)O 7a_100011216573_100000187820 [0,1,0,0,0,1|2,0,0]=4 3975 B13R1.150 Cc1c(cccc1NCC(=O)[O-])Br 34a_100000750434_100020667443 [0,1,0,0,0,1|2,0,0]=4 3976 B13R1.150 Cc1c(cccc1NCC(=O)[O-])Cl 34a_100000210441_100020667443 [0,1,0,0,0,1|2,0,0]=4 3977 B13R1.150 Cc1c(cccc1NCC(=O)[O-])F 34a_100000745574_100020667443 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.150 Cc1c(cccc1NCC(=O)[O-])I 34a_100000761887_100020667443 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.150 Cc1c(cccc1NCC(=O)[O-])O 34a_100011216573_100020667443 [0,1,0,0,0,1|2,0,0]=4 3980 B13R1.150 Cc1cccc(c1Br)NCC(=O)N 34a_100000684715_100000187820 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.150 Cc1cccc(c1Br)NCC(=O)[O-] 34a_100000684715_100020667443 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [0,1,0,0,0,1|2,0,0]=4 3983 B13R1.150 Cc1cccc(c1C)NCC(=O)N 2230a_100000210026_100000747473 [0,1,0,0,0,1|2,0,0]=4 3984 B13R1.150 Cc1cccc(c1C)NCC(=O)N 34a_100000210026_100000187820 [0,1,0,0,0,1|2,0,0]=4 3985 B13R1.150 Cc1cccc(c1C)NCC(=O)N 7a_100000210026_100000187820 [0,1,0,0,0,1|2,0,0]=4 3986 B13R1.150 Cc1cccc(c1C)NCC(=O)[O-] 34a_100000210026_100020667443 [0,1,0,0,0,1|2,0,0]=4 3987 B13R1.150 Cc1cccc(c1C)OCC(=O)[13CH3] 1458a_200000183798_200025704644 [0,1,0,0,0,1|2,0,0]=4 3988 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 34a_100000765562_100000187820 [0,1,0,0,0,1|2,0,0]=4 3989 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 7a_100000765562_100000187820 [0,1,0,0,0,1|2,0,0]=4 3990 B13R1.150 Cc1cccc(c1Cl)NCC(=O)[O-] 34a_100000765562_100020667443 [0,1,0,0,0,1|2,0,0]=4 3991 B13R1.150 Cc1cccc(c1F)NCC(=O)N 2230a_100000697159_100000747473 [0,1,0,0,0,1|2,0,0]=4 3992 B13R1.150 Cc1cccc(c1F)NCC(=O)N 34a_100000697159_100000187820 [0,1,0,0,0,1|2,0,0]=4 3993 B13R1.150 Cc1cccc(c1F)NCC(=O)N 7a_100000697159_100000187820 [0,1,0,0,0,1|2,0,0]=4 3994 B13R1.150 Cc1cccc(c1F)NCC(=O)[O-] 34a_100000697159_100020667443 [0,1,0,0,0,1|2,0,0]=4 3995 B13R1.150 Cc1cccc(c1I)NCC(=O)N 34a_100000761888_100000187820 [0,1,0,0,0,1|2,0,0]=4 3996 B13R1.150 Cc1cccc(c1I)NCC(=O)[O-] 34a_100000761888_100020667443 [0,1,0,0,0,1|2,0,0]=4 3997 B13R1.150 Cc1cccc(c1O)CNC(C)C 34a_100020639391_100000210206 [0,1,0,0,0,1|1,0,1]=4 3998 B13R1.150 Cc1cccc(c1O)NCC(=O)N 34a_100000756359_100000187820 [0,1,0,0,0,1|1,0,0]=3 3999 B13R1.150 Cc1cccc(c1O)NCC(=O)[O-] 34a_100000756359_100020667443 [0,1,0,0,0,1|1,0,0]=3 4000 B13R1.150 Cc1cccc(c1O)NCC(C)C 34a_100000756359_100000210624 [0,1,0,0,0,1|1,0,1]=4 4001 B13R1.150 Cc1cccc(c1O)NCC(C)O 34a_100000756359_100011218427 [0,1,0,0,0,1|0,0,2]=4 4002 B13R1.150 Cc1cccc(c1O)NC[C@@H](C)O 34a_100000756359_100009817552 [0,1,0,0,0,1|0,0,2]=4 4003 B13R1.150 Cc1cccc(c1O)NC[N+](=O)[O-] 34a_100000756359_100000761209 [0,1,0,0,0,1|2,0,0]=4 4004 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100000747473_100009817157 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100009817157_100000747473 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100009817157_100020667443 [0,1,0,0,0,1|2,0,0]=4 4007 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100009817157 [0,1,0,0,0,1|2,0,0]=4 4008 B13R1.150 NC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000187820 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.150 NC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000187820 [0,1,0,0,0,1|2,0,0]=4 4010 B13R1.150 NC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000187820 [0,1,0,0,0,1|2,0,0]=4 4011 B13R1.150 NC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000187820 [0,1,0,0,0,1|2,0,0]=4 4012 B13R1.150 NC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000187820 [0,1,0,0,0,1|2,0,0]=4 4013 B13R1.150 NC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000187820 [0,1,0,0,0,1|2,0,0]=4 4014 B13R1.150 NC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000187820 [0,1,0,0,0,1|2,0,0]=4 4015 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000187820 [0,1,0,0,0,1|2,0,0]=4 4016 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000187820 [0,1,0,0,0,1|2,0,0]=4 4017 B13R1.150 NC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000747473 [0,1,0,0,0,1|2,0,0]=4 4018 B13R1.150 NC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000187820 [0,1,0,0,0,1|2,0,0]=4 4019 B13R1.150 NC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000747473 [0,1,0,0,0,1|2,0,0]=4 4020 B13R1.150 NC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000187820 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.150 NC(=O)CNc1cccc(c1F)F 34a_100000743855_100000187820 [0,1,0,0,0,1|2,0,0]=4 4022 B13R1.150 NC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000187820 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.150 NC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000187820 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.150 NC(=O)CNc1cccc(c1I)F 34a_100000690935_100000187820 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.150 NC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000187820 [0,1,0,0,0,1|1,0,0]=3 4026 B13R1.150 NC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000187820 [0,1,0,0,0,1|1,0,0]=3 4027 B13R1.150 NC(=O)CNc1cccc(c1O)F 34a_100011934987_100000187820 [0,1,0,0,0,1|1,0,0]=3 4028 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100000747473_100010084509 [0,1,0,0,0,1|2,0,0]=4 4029 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000747473 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100000747473_100010202889 [0,1,0,0,0,1|2,0,0]=4 4031 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000747473 [0,1,0,0,0,1|2,0,0]=4 4032 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100000747473_100009813666 [0,1,0,0,0,1|2,0,0]=4 4033 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100009813666_100000747473 [0,1,0,0,0,1|2,0,0]=4 4034 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100000747473_100010084371 [0,1,0,0,0,1|2,0,0]=4 4035 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100011934915_100000747473 [0,1,0,0,0,1|2,0,0]=4 4036 B13R1.150 NC(=O)CSc1cccc(c1O)O 62a_100000747473_100009815950 [0,1,0,0,0,1|2,0,0]=4 4037 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100011934915_100020667443 [0,1,0,0,0,1|2,0,0]=4 4038 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100010084371 [0,1,0,0,0,1|2,0,0]=4 4039 B13R1.150 O=C([O-])CNc1cccc(c1Br)Cl 34a_100000687072_100020667443 [0,1,0,0,0,1|2,0,0]=4 4040 B13R1.150 O=C([O-])CNc1cccc(c1Br)F 34a_100011934729_100020667443 [0,1,0,0,0,1|2,0,0]=4 4041 B13R1.150 O=C([O-])CNc1cccc(c1Br)O 34a_100012183704_100020667443 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.150 O=C([O-])CNc1cccc(c1Cl)Br 34a_100000687075_100020667443 [0,1,0,0,0,1|2,0,0]=4 4043 B13R1.150 O=C([O-])CNc1cccc(c1Cl)Cl 34a_100000185733_100020667443 [0,1,0,0,0,1|2,0,0]=4 4044 B13R1.150 O=C([O-])CNc1cccc(c1Cl)F 34a_100000692321_100020667443 [0,1,0,0,0,1|2,0,0]=4 4045 B13R1.150 O=C([O-])CNc1cccc(c1Cl)O 34a_100012002038_100020667443 [0,1,0,0,0,1|2,0,0]=4 4046 B13R1.150 O=C([O-])CNc1cccc(c1F)Br 34a_100011935091_100020667443 [0,1,0,0,0,1|2,0,0]=4 4047 B13R1.150 O=C([O-])CNc1cccc(c1F)Cl 34a_100000199060_100020667443 [0,1,0,0,0,1|2,0,0]=4 4048 B13R1.150 O=C([O-])CNc1cccc(c1F)F 34a_100000743855_100020667443 [0,1,0,0,0,1|2,0,0]=4 4049 B13R1.150 O=C([O-])CNc1cccc(c1I)Br 34a_100020590159_100020667443 [0,1,0,0,0,1|2,0,0]=4 4050 B13R1.150 O=C([O-])CNc1cccc(c1I)Cl 34a_100000049713_100020667443 [0,1,0,0,0,1|2,0,0]=4 4051 B13R1.150 O=C([O-])CNc1cccc(c1I)F 34a_100000690935_100020667443 [0,1,0,0,0,1|2,0,0]=4 4052 B13R1.150 O=C([O-])CNc1cccc(c1O)Br 34a_100011934915_100020667443 [0,1,0,0,0,1|1,0,0]=3 4053 B13R1.150 O=C([O-])CNc1cccc(c1O)Cl 34a_100000754742_100020667443 [0,1,0,0,0,1|1,0,0]=3 4054 B13R1.150 O=C([O-])CNc1cccc(c1O)F 34a_100011934987_100020667443 [0,1,0,0,0,1|1,0,0]=3 4055 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100010084509_100020667443 [0,1,0,0,0,1|2,0,0]=4 4056 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100020667443_100010084509 [0,1,0,0,0,1|2,0,0]=4 4057 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100010202889_100020667443 [0,1,0,0,0,1|2,0,0]=4 4058 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100020667443_100010202889 [0,1,0,0,0,1|2,0,0]=4 4059 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100009813666_100020667443 [0,1,0,0,0,1|2,0,0]=4 4060 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100020667443_100009813666 [0,1,0,0,0,1|2,0,0]=4 4061 B13R1.150 O=C([O-])CSc1cccc(c1O)O 62a_100020667443_100009815950 [0,1,0,0,0,1|2,0,0]=4 4062 B13R1.150 O=[N+]([O-])CNc1cccc(c1O)Br 34a_100011934915_100000761209 [0,1,0,0,0,1|2,0,0]=4 4063 B13R1.150 O=[N+]([O-])CNc1cccc(c1O)Cl 34a_100000754742_100000761209 [0,1,0,0,0,1|2,0,0]=4 4064 B13R1.150 O=[N+]([O-])CNc1cccc(c1O)F 34a_100011934987_100000761209 [0,1,0,0,0,1|2,0,0]=4 4065 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [0,1,0,0,0,1|2,0,0]=4 4066 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [0,1,0,0,0,1|2,0,0]=4 4067 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.150 [13CH3]C(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200025704644 [0,1,0,0,0,1|2,0,0]=4 4070 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Br 1458a_100012349569_200025704644 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200025704644 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)F 1458a_100000748811_200025704644 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,1,0,0,0,1|1,0,0]=3 4074 B13R1.150 [13CH3]C(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200025704644 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.157 CC(C)(C)CNc1ccccc1O 34a_100000185747_100011219605 [0,1,0,0,0,1|1,0,1]=4 4076 B13R1.157 CC(C)(C)NCc1ccccc1O 271570a_203496583355_100000740897 [0,1,0,0,0,1|1,0,1]=4 4077 B13R1.157 CC(C)(C)NCc1ccccc1O 34a_100000185550_100000210625 [0,1,0,0,0,1|1,0,1]=4 4078 B13R1.157 CC(C)(F)CNc1ccccc1O 34a_100000185747_100011997219 [0,1,0,0,0,1|1,0,1]=4 4079 B13R1.157 CC(C)(O)CNc1ccccc1O 34a_100000185747_100000764493 [0,1,0,0,0,1|0,0,2]=4 4080 B13R1.157 CS(=O)(=O)NCc1ccccc1Br 40a_100000689332_100000738038 [0,1,0,0,0,1|2,0,0]=4 4081 B13R1.157 CS(=O)(=O)NCc1ccccc1Cl 40a_100000174879_100000738038 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.157 CS(=O)(=O)NCc1ccccc1F 40a_100000174869_100000738038 [0,1,0,0,0,1|2,0,0]=4 4083 B13R1.157 CS(=O)(=O)NCc1ccccc1I 40a_100015347259_100000738038 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.157 CS(=O)(=O)NCc1ccccc1O 40a_100000185550_100000738038 [0,1,0,0,0,1|1,0,0]=3 4085 B13R1.157 CS(=O)(=O)NNc1ccccc1Br 40a_100000241748_100000738038 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.157 CS(=O)(=O)NNc1ccccc1Cl 40a_100000683529_100000738038 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.157 CS(=O)(=O)NNc1ccccc1F 40a_100000239246_100000738038 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.157 CS(=O)(=O)NNc1ccccc1I 40a_100011218156_100000738038 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.157 Cc1ccccc1CNS(=O)(=O)C 40a_100000174972_100000738038 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.157 Cc1ccccc1NNS(=O)(=O)C 40a_100000184220_100000738038 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.157 O=S(=O)([O-])CNc1ccccc1O 34a_100000185747_100009817235 [0,1,0,0,0,1|2,0,0]=4 4092 B13R1.164 C=C(C)CNc1ccc(cc1Br)Br 34a_100000211012_100000748629 [0,1,0,0,0,1|2,0,0]=4 4093 B13R1.164 C=C(C)CNc1ccc(cc1Br)C 34a_100000210942_100000748629 [0,1,0,0,0,1|2,0,0]=4 4094 B13R1.164 C=C(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000748629 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.164 C=C(C)CNc1ccc(cc1Br)F 34a_100000738039_100000748629 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.164 C=C(C)CNc1ccc(cc1Br)O 34a_100012001276_100000748629 [0,1,0,0,0,1|2,0,0]=4 4097 B13R1.164 C=C(C)CNc1ccc(cc1C)Br 34a_100000211769_100000748629 [0,1,0,0,0,1|2,0,0]=4 4098 B13R1.164 C=C(C)CNc1ccc(cc1C)Br 7a_100000211769_100000748629 [0,1,0,0,0,1|2,0,0]=4 4099 B13R1.164 C=C(C)CNc1ccc(cc1C)C 34a_100000736561_100000748629 [0,1,0,0,0,1|2,0,0]=4 4100 B13R1.164 C=C(C)CNc1ccc(cc1C)C 7a_100000736561_100000748629 [0,1,0,0,0,1|2,0,0]=4 4101 B13R1.164 C=C(C)CNc1ccc(cc1C)Cl 34a_100000210418_100000748629 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.164 C=C(C)CNc1ccc(cc1C)Cl 7a_100000210418_100000748629 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.164 C=C(C)CNc1ccc(cc1C)F 34a_100000211637_100000748629 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.164 C=C(C)CNc1ccc(cc1C)F 7a_100000211637_100000748629 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.164 C=C(C)CNc1ccc(cc1C)I 34a_100000184554_100000748629 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.164 C=C(C)CNc1ccc(cc1C)I 7a_100000184554_100000748629 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.164 C=C(C)CNc1ccc(cc1C)O 34a_100000756630_100000748629 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.164 C=C(C)CNc1ccc(cc1Cl)Br 34a_100000211467_100000748629 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.164 C=C(C)CNc1ccc(cc1Cl)C 34a_100000210522_100000748629 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.164 C=C(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000748629 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.164 C=C(C)CNc1ccc(cc1Cl)F 34a_100000212003_100000748629 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.164 C=C(C)CNc1ccc(cc1Cl)I 34a_100011218065_100000748629 [0,1,0,0,0,1|2,0,0]=4 4113 B13R1.164 C=C(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000748629 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.164 C=C(C)CNc1ccc(cc1F)Br 34a_100000210722_100000748629 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.164 C=C(C)CNc1ccc(cc1F)C 34a_100000211023_100000748629 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.164 C=C(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000748629 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.164 C=C(C)CNc1ccc(cc1F)F 34a_100000210720_100000748629 [0,1,0,0,0,1|2,0,0]=4 4118 B13R1.164 C=C(C)CNc1ccc(cc1F)I 34a_100011215594_100000748629 [0,1,0,0,0,1|2,0,0]=4 4119 B13R1.164 C=C(C)CNc1ccc(cc1F)O 34a_100000759473_100000748629 [0,1,0,0,0,1|2,0,0]=4 4120 B13R1.164 C=C(C)CNc1ccc(cc1I)Br 34a_100000187925_100000748629 [0,1,0,0,0,1|2,0,0]=4 4121 B13R1.164 C=C(C)CNc1ccc(cc1I)C 34a_100011356834_100000748629 [0,1,0,0,0,1|2,0,0]=4 4122 B13R1.164 C=C(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000748629 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.164 C=C(C)CNc1ccc(cc1I)F 34a_100000760547_100000748629 [0,1,0,0,0,1|2,0,0]=4 4124 B13R1.164 C=C(C)CNc1ccc(cc1I)O 34a_100010084370_100000748629 [0,1,0,0,0,1|2,0,0]=4 4125 B13R1.164 C=C(C)CNc1ccc(cc1O)Br 34a_100000739049_100000748629 [0,1,0,0,0,1|1,0,0]=3 4126 B13R1.164 C=C(C)CNc1ccc(cc1O)C 34a_100000211527_100000748629 [0,1,0,0,0,1|1,0,0]=3 4127 B13R1.164 C=C(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000748629 [0,1,0,0,0,1|1,0,0]=3 4128 B13R1.164 C=C(C)CNc1ccc(cc1O)F 34a_100000753323_100000748629 [0,1,0,0,0,1|1,0,0]=3 4129 B13R1.164 C=C(C)CNc1ccc(cc1O)O 34a_100000106777_100000748629 [0,1,0,0,0,1|1,0,0]=3 4130 B13R1.164 C=C(C)CSc1ccc(cc1O)Br 62a_100000748629_100012344904 [0,1,0,0,0,1|2,0,0]=4 4131 B13R1.164 C=C(C)CSc1ccc(cc1O)Br 62a_100012344904_100000211660 [0,1,0,0,0,1|2,0,0]=4 4132 B13R1.164 C=C(C)CSc1ccc(cc1O)C 62a_100000748629_100012002257 [0,1,0,0,0,1|2,0,0]=4 4133 B13R1.164 C=C(C)CSc1ccc(cc1O)C 62a_100012002257_100000211660 [0,1,0,0,0,1|2,0,0]=4 4134 B13R1.164 C=C(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000211660 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.164 C=C(C)CSc1ccc(cc1O)Cl 62a_100000748629_100000050036 [0,1,0,0,0,1|2,0,0]=4 4136 B13R1.164 C=C(C)CSc1ccc(cc1O)F 62a_100000690578_100000211660 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.164 C=C(C)CSc1ccc(cc1O)F 62a_100000748629_100000690578 [0,1,0,0,0,1|2,0,0]=4 4138 B13R1.164 C=C(C)CSc1ccc(cc1O)O 62a_100000748629_100009813921 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.164 C=C(F)CNc1ccc(cc1O)Br 34a_100000739049_100009893438 [0,1,0,0,0,1|1,0,1]=4 4140 B13R1.164 C=C(F)CNc1ccc(cc1O)C 34a_100000211527_100009893438 [0,1,0,0,0,1|1,0,1]=4 4141 B13R1.164 C=C(F)CNc1ccc(cc1O)Cl 34a_100000185728_100009893438 [0,1,0,0,0,1|1,0,1]=4 4142 B13R1.164 C=C(F)CNc1ccc(cc1O)F 34a_100000753323_100009893438 [0,1,0,0,0,1|1,0,1]=4 4143 B13R1.164 C=C(F)CNc1ccc(cc1O)O 34a_100000106777_100009893438 [0,1,0,0,0,1|1,0,1]=4 4144 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [0,1,0,0,0,1|2,0,0]=4 4145 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [0,1,0,0,0,1|2,0,0]=4 4146 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [0,1,0,0,0,1|2,0,0]=4 4147 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [0,1,0,0,0,1|2,0,0]=4 4151 B13R1.164 CC(=O)CCc1ccc(cc1Br)Cl 1458a_100000070787_200012945151 [0,1,0,0,0,1|2,0,0]=4 4152 B13R1.164 CC(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200000210301 [0,1,0,0,0,1|2,0,0]=4 4153 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [0,1,0,0,0,1|2,0,0]=4 4154 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [0,1,0,0,0,1|2,0,0]=4 4155 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200000210301 [0,1,0,0,0,1|2,0,0]=4 4156 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000070787_200012161198 [0,1,0,0,0,1|2,0,0]=4 4157 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200000210301 [0,1,0,0,0,1|2,0,0]=4 4158 B13R1.164 CC(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200000210301 [0,1,0,0,0,1|2,0,0]=4 4159 B13R1.164 CC(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200000210301 [0,1,0,0,0,1|2,0,0]=4 4160 B13R1.164 CC(=O)CCc1ccc(cc1F)C 1458a_100000061718_200000210301 [0,1,0,0,0,1|2,0,0]=4 4161 B13R1.164 CC(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200000210301 [0,1,0,0,0,1|2,0,0]=4 4162 B13R1.164 CC(=O)CCc1ccc(cc1F)F 1458a_100000691965_200000210301 [0,1,0,0,0,1|2,0,0]=4 4163 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,1,0,0,0,1|1,0,0]=3 4164 B13R1.164 CC(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200000210301 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.164 CC(=O)COc1ccc(cc1Br)C 1458a_100000186371_200000210301 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [0,1,0,0,0,1|2,0,0]=4 4167 B13R1.164 CC(=O)COc1ccc(cc1Br)F 1458a_100000184067_200000210301 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.164 CC(=O)COc1ccc(cc1C)C 1458a_200000185146_200000210301 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.164 CC(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200000210301 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [0,1,0,0,0,1|2,0,0]=4 4173 B13R1.164 CC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200000210301 [0,1,0,0,0,1|2,0,0]=4 4174 B13R1.164 CC(=O)COc1ccc(cc1F)Br 1458a_100000184069_200000210301 [0,1,0,0,0,1|2,0,0]=4 4175 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [0,1,0,0,0,1|2,0,0]=4 4176 B13R1.164 CC(=O)COc1ccc(cc1F)F 1458a_100000737261_200000210301 [0,1,0,0,0,1|2,0,0]=4 4177 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,1,0,0,0,1|1,0,0]=3 4178 B13R1.164 CC(=O)CSc1ccc(cc1C)Br 1458a_100000679851_200000210301 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 11a_100102692131_100015343762 [0,1,0,0,0,1|1,0,0]=3 4180 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 1626a_100102692131_100015343762 [0,1,0,0,0,1|1,0,0]=3 4181 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 240690a_100102692131_100015343762 [0,1,0,0,0,1|1,0,0]=3 4182 B13R1.164 CC(=O)NCc1ccc(cc1Br)Cl 527a_100102692131_100103153847 [0,1,0,0,0,1|1,0,0]=3 4183 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 11a_100000708791_100015343762 [0,1,0,0,0,1|1,0,0]=3 4184 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 1626a_100000708791_100015343762 [0,1,0,0,0,1|1,0,0]=3 4185 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 240690a_100000708791_100015343762 [0,1,0,0,0,1|1,0,0]=3 4186 B13R1.164 CC(=O)NCc1ccc(cc1Br)F 527a_100000708791_100103153847 [0,1,0,0,0,1|1,0,0]=3 4187 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 11a_100000753881_100015343762 [0,1,0,0,0,1|1,0,0]=3 4188 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 1626a_100000753881_100015343762 [0,1,0,0,0,1|1,0,0]=3 4189 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 240690a_100000753881_100015343762 [0,1,0,0,0,1|1,0,0]=3 4190 B13R1.164 CC(=O)NCc1ccc(cc1C)Br 527a_100000753881_100103153847 [0,1,0,0,0,1|1,0,0]=3 4191 B13R1.164 CC(=O)NCc1ccc(cc1C)C 11a_100000737523_100015343762 [0,1,0,0,0,1|1,0,0]=3 4192 B13R1.164 CC(=O)NCc1ccc(cc1C)C 1626a_100000737523_100015343762 [0,1,0,0,0,1|1,0,0]=3 4193 B13R1.164 CC(=O)NCc1ccc(cc1C)C 240690a_100000737523_100015343762 [0,1,0,0,0,1|1,0,0]=3 4194 B13R1.164 CC(=O)NCc1ccc(cc1C)C 527a_100000737523_100103153847 [0,1,0,0,0,1|1,0,0]=3 4195 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 11a_103436540063_100015343762 [0,1,0,0,0,1|1,0,0]=3 4196 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 1626a_103436540063_100015343762 [0,1,0,0,0,1|1,0,0]=3 4197 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 240690a_103436540063_100015343762 [0,1,0,0,0,1|1,0,0]=3 4198 B13R1.164 CC(=O)NCc1ccc(cc1C)Cl 527a_103436540063_100103153847 [0,1,0,0,0,1|1,0,0]=3 4199 B13R1.164 CC(=O)NCc1ccc(cc1C)F 11a_100137329023_100015343762 [0,1,0,0,0,1|1,0,0]=3 4200 B13R1.164 CC(=O)NCc1ccc(cc1C)F 1626a_100137329023_100015343762 [0,1,0,0,0,1|1,0,0]=3 4201 B13R1.164 CC(=O)NCc1ccc(cc1C)F 240690a_100137329023_100015343762 [0,1,0,0,0,1|1,0,0]=3 4202 B13R1.164 CC(=O)NCc1ccc(cc1C)F 527a_100137329023_100103153847 [0,1,0,0,0,1|1,0,0]=3 4203 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 11a_100020628970_100015343762 [0,1,0,0,0,1|1,0,0]=3 4204 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 1626a_100020628970_100015343762 [0,1,0,0,0,1|1,0,0]=3 4205 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 240690a_100020628970_100015343762 [0,1,0,0,0,1|1,0,0]=3 4206 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 527a_100020628970_100103153847 [0,1,0,0,0,1|1,0,0]=3 4207 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 11a_100011997539_100015343762 [0,1,0,0,0,1|1,0,0]=3 4208 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 1626a_100011997539_100015343762 [0,1,0,0,0,1|1,0,0]=3 4209 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 240690a_100011997539_100015343762 [0,1,0,0,0,1|1,0,0]=3 4210 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 527a_100011997539_100103153847 [0,1,0,0,0,1|1,0,0]=3 4211 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 11a_100000174880_100015343762 [0,1,0,0,0,1|1,0,0]=3 4212 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 1626a_100000174880_100015343762 [0,1,0,0,0,1|1,0,0]=3 4213 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 240690a_100000174880_100015343762 [0,1,0,0,0,1|1,0,0]=3 4214 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 527a_100000174880_100103153847 [0,1,0,0,0,1|1,0,0]=3 4215 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 11a_100000174946_100015343762 [0,1,0,0,0,1|1,0,0]=3 4216 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 1626a_100000174946_100015343762 [0,1,0,0,0,1|1,0,0]=3 4217 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 240690a_100000174946_100015343762 [0,1,0,0,0,1|1,0,0]=3 4218 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 527a_100000174946_100103153847 [0,1,0,0,0,1|1,0,0]=3 4219 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 240690a_200161156549_100015343762 [0,1,0,0,0,1|1,0,0]=3 4220 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 527a_200161156549_100103153847 [0,1,0,0,0,1|1,0,0]=3 4221 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 11a_100000754580_100015343762 [0,1,0,0,0,1|1,0,0]=3 4222 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 1626a_100000754580_100015343762 [0,1,0,0,0,1|1,0,0]=3 4223 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 240690a_100000754580_100015343762 [0,1,0,0,0,1|1,0,0]=3 4224 B13R1.164 CC(=O)NCc1ccc(cc1F)Br 527a_100000754580_100103153847 [0,1,0,0,0,1|1,0,0]=3 4225 B13R1.164 CC(=O)NCc1ccc(cc1F)C 11a_100102887089_100015343762 [0,1,0,0,0,1|1,0,0]=3 4226 B13R1.164 CC(=O)NCc1ccc(cc1F)C 1626a_100102887089_100015343762 [0,1,0,0,0,1|1,0,0]=3 4227 B13R1.164 CC(=O)NCc1ccc(cc1F)C 240690a_100102887089_100015343762 [0,1,0,0,0,1|1,0,0]=3 4228 B13R1.164 CC(=O)NCc1ccc(cc1F)C 527a_100102887089_100103153847 [0,1,0,0,0,1|1,0,0]=3 4229 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 11a_100000708496_100015343762 [0,1,0,0,0,1|1,0,0]=3 4230 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 1626a_100000708496_100015343762 [0,1,0,0,0,1|1,0,0]=3 4231 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 240690a_100000708496_100015343762 [0,1,0,0,0,1|1,0,0]=3 4232 B13R1.164 CC(=O)NCc1ccc(cc1F)Cl 527a_100000708496_100103153847 [0,1,0,0,0,1|1,0,0]=3 4233 B13R1.164 CC(=O)NCc1ccc(cc1F)F 11a_100000737868_100015343762 [0,1,0,0,0,1|1,0,0]=3 4234 B13R1.164 CC(=O)NCc1ccc(cc1F)F 1626a_100000737868_100015343762 [0,1,0,0,0,1|1,0,0]=3 4235 B13R1.164 CC(=O)NCc1ccc(cc1F)F 240690a_100000737868_100015343762 [0,1,0,0,0,1|1,0,0]=3 4236 B13R1.164 CC(=O)NCc1ccc(cc1F)F 527a_100000737868_100103153847 [0,1,0,0,0,1|1,0,0]=3 4237 B13R1.164 CC(=O)NCc1ncc(cc1Br)Cl 11a_100010113384_100015343762 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.164 CC(=O)NCc1ncc(cc1Br)Cl 1626a_100010113384_100015343762 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.164 CC(=O)NCc1ncc(cc1Br)Cl 240690a_100010113384_100015343762 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.164 CC(=O)NCc1ncc(cc1Br)Cl 527a_100010113384_100103153847 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Br 11a_100025703182_100015343762 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Br 1626a_100025703182_100015343762 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Br 240690a_100025703182_100015343762 [0,1,0,0,0,1|2,0,0]=4 4244 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Br 527a_100025703182_100103153847 [0,1,0,0,0,1|2,0,0]=4 4245 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Cl 11a_200020636379_100015343762 [0,1,0,0,0,1|2,0,0]=4 4246 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Cl 1626a_200020636379_100015343762 [0,1,0,0,0,1|2,0,0]=4 4247 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Cl 240690a_200020636379_100015343762 [0,1,0,0,0,1|2,0,0]=4 4248 B13R1.164 CC(=O)NCc1ncc(cc1Cl)Cl 527a_200020636379_100103153847 [0,1,0,0,0,1|2,0,0]=4 4249 B13R1.164 CC(=O)NCc1ncc(cc1Cl)F 11a_100020639648_100015343762 [0,1,0,0,0,1|2,0,0]=4 4250 B13R1.164 CC(=O)NCc1ncc(cc1Cl)F 1626a_100020639648_100015343762 [0,1,0,0,0,1|2,0,0]=4 4251 B13R1.164 CC(=O)NCc1ncc(cc1Cl)F 240690a_100020639648_100015343762 [0,1,0,0,0,1|2,0,0]=4 4252 B13R1.164 CC(=O)NCc1ncc(cc1Cl)F 527a_100020639648_100103153847 [0,1,0,0,0,1|2,0,0]=4 4253 B13R1.164 CC(=O)NCc1ncc(cc1F)Br 11a_100015188786_100015343762 [0,1,0,0,0,1|2,0,0]=4 4254 B13R1.164 CC(=O)NCc1ncc(cc1F)Br 1626a_100015188786_100015343762 [0,1,0,0,0,1|2,0,0]=4 4255 B13R1.164 CC(=O)NCc1ncc(cc1F)Br 240690a_100015188786_100015343762 [0,1,0,0,0,1|2,0,0]=4 4256 B13R1.164 CC(=O)NCc1ncc(cc1F)Br 527a_100015188786_100103153847 [0,1,0,0,0,1|2,0,0]=4 4257 B13R1.164 CC(=O)NCc1ncc(cc1F)F 11a_100015188779_100015343762 [0,1,0,0,0,1|2,0,0]=4 4258 B13R1.164 CC(=O)NCc1ncc(cc1F)F 1626a_100015188779_100015343762 [0,1,0,0,0,1|2,0,0]=4 4259 B13R1.164 CC(=O)NCc1ncc(cc1F)F 240690a_100015188779_100015343762 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.164 CC(=O)NCc1ncc(cc1F)F 527a_100015188779_100103153847 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.164 CC(=O)NNc1ccc(cc1Br)Br 22a_100020603695_100000070787 [0,1,0,0,0,1|1,0,0]=3 4262 B13R1.164 CC(=O)NNc1ccc(cc1Br)C 22a_100016996181_100000070787 [0,1,0,0,0,1|1,0,0]=3 4263 B13R1.164 CC(=O)NNc1ccc(cc1C)Br 22a_100000751375_100000070787 [0,1,0,0,0,1|1,0,0]=3 4264 B13R1.164 CC(=O)NNc1ccc(cc1C)C 22a_100000184573_100000070787 [0,1,0,0,0,1|1,0,0]=3 4265 B13R1.164 CC(=O)NNc1ccc(cc1C)Cl 22a_100011215965_100000070787 [0,1,0,0,0,1|1,0,0]=3 4266 B13R1.164 CC(=O)NNc1ccc(cc1C)F 22a_100000741282_100000070787 [0,1,0,0,0,1|1,0,0]=3 4267 B13R1.164 CC(=O)NNc1ccc(cc1Cl)Br 22a_100000751498_100000070787 [0,1,0,0,0,1|1,0,0]=3 4268 B13R1.164 CC(=O)NNc1ccc(cc1Cl)C 22a_100000006747_100000070787 [0,1,0,0,0,1|1,0,0]=3 4269 B13R1.164 CC(=O)NNc1ccc(cc1Cl)Cl 22a_100000717958_100000070787 [0,1,0,0,0,1|1,0,0]=3 4270 B13R1.164 CC(=O)NNc1ccc(cc1Cl)F 22a_100016987656_100000070787 [0,1,0,0,0,1|1,0,0]=3 4271 B13R1.164 CC(=O)NNc1ccc(cc1F)Br 22a_100000751572_100000070787 [0,1,0,0,0,1|1,0,0]=3 4272 B13R1.164 CC(=O)NNc1ccc(cc1F)C 22a_100000689694_100000070787 [0,1,0,0,0,1|1,0,0]=3 4273 B13R1.164 CC(=O)NNc1ccc(cc1F)Cl 22a_100016989531_100000070787 [0,1,0,0,0,1|1,0,0]=3 4274 B13R1.164 CC(=O)NNc1ccc(cc1F)F 22a_100000681581_100000070787 [0,1,0,0,0,1|1,0,0]=3 4275 B13R1.164 CC(=O)NNc1ncc(cc1Br)Br 22a_200012357581_100000070787 [0,1,0,0,0,1|2,0,0]=4 4276 B13R1.164 CC(=O)NNc1ncc(cc1Br)C 22a_100012357580_100000070787 [0,1,0,0,0,1|2,0,0]=4 4277 B13R1.164 CC(=O)NNc1ncc(cc1Br)Cl 22a_100012357585_100000070787 [0,1,0,0,0,1|2,0,0]=4 4278 B13R1.164 CC(=O)NNc1ncc(cc1Cl)Br 22a_100012357588_100000070787 [0,1,0,0,0,1|2,0,0]=4 4279 B13R1.164 CC(=O)NNc1ncc(cc1Cl)Cl 22a_100000183775_100000070787 [0,1,0,0,0,1|2,0,0]=4 4280 B13R1.164 CC(=O)NNc1ncc(cc1F)Br 22a_100012357567_100000070787 [0,1,0,0,0,1|2,0,0]=4 4281 B13R1.164 CC(=O)NNc1ncc(cc1F)Cl 22a_100012017260_100000070787 [0,1,0,0,0,1|2,0,0]=4 4282 B13R1.164 CC(=O)NNc1ncc(cc1F)F 22a_100012020531_100000070787 [0,1,0,0,0,1|2,0,0]=4 4283 B13R1.164 CC(C)CNc1ccc(cc1O)Br 34a_100000739049_100000210624 [0,1,0,0,0,1|1,0,1]=4 4284 B13R1.164 CC(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000210624 [0,1,0,0,0,1|1,0,1]=4 4285 B13R1.164 CC(C)CNc1ccc(cc1O)F 34a_100000753323_100000210624 [0,1,0,0,0,1|1,0,1]=4 4286 B13R1.164 CC(C)CNc1ccc(cc1O)O 34a_100000106777_100000210624 [0,1,0,0,0,1|1,0,1]=4 4287 B13R1.164 CC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011218427 [0,1,0,0,0,1|0,0,2]=4 4288 B13R1.164 CC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011218427 [0,1,0,0,0,1|0,0,2]=4 4289 B13R1.164 CC(O)CNc1ccc(cc1O)F 34a_100000753323_100011218427 [0,1,0,0,0,1|0,0,2]=4 4290 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [0,1,0,0,0,1|0,0,2]=4 4291 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Br 34a_100000739049_100009817552 [0,1,0,0,0,1|0,0,2]=4 4292 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Cl 34a_100000185728_100009817552 [0,1,0,0,0,1|0,0,2]=4 4293 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)F 34a_100000753323_100009817552 [0,1,0,0,0,1|0,0,2]=4 4294 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [0,1,0,0,0,1|0,0,2]=4 4295 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [0,1,0,0,0,1|2,0,0]=4 4296 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 34a_100000211769_100000187820 [0,1,0,0,0,1|2,0,0]=4 4297 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 7a_100000211769_100000187820 [0,1,0,0,0,1|2,0,0]=4 4298 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 34a_100000210418_100000187820 [0,1,0,0,0,1|2,0,0]=4 4299 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 7a_100000210418_100000187820 [0,1,0,0,0,1|2,0,0]=4 4300 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 34a_100000211637_100000187820 [0,1,0,0,0,1|2,0,0]=4 4301 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 7a_100000211637_100000187820 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 34a_100000184554_100000187820 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 7a_100000184554_100000187820 [0,1,0,0,0,1|2,0,0]=4 4304 B13R1.164 Cc1cc(ccc1NCC(=O)N)O 34a_100000756630_100000187820 [0,1,0,0,0,1|2,0,0]=4 4305 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Br 34a_100000211769_100020667443 [0,1,0,0,0,1|2,0,0]=4 4306 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Cl 34a_100000210418_100020667443 [0,1,0,0,0,1|2,0,0]=4 4307 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])F 34a_100000211637_100020667443 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])I 34a_100000184554_100020667443 [0,1,0,0,0,1|2,0,0]=4 4309 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])O 34a_100000756630_100020667443 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [0,1,0,0,0,1|2,0,0]=4 4311 B13R1.164 Cc1cc(ccc1SCC(=O)[13CH3])Br 1458a_100000679851_200025704644 [0,1,0,0,0,1|2,0,0]=4 4312 B13R1.164 Cc1ccc(c(c1)Br)NCC(=O)N 34a_100000210942_100000187820 [0,1,0,0,0,1|2,0,0]=4 4313 B13R1.164 Cc1ccc(c(c1)Br)NCC(=O)[O-] 34a_100000210942_100020667443 [0,1,0,0,0,1|2,0,0]=4 4314 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[13CH3] 1458a_100000186371_200025704644 [0,1,0,0,0,1|2,0,0]=4 4315 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [0,1,0,0,0,1|2,0,0]=4 4316 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 34a_100000736561_100000187820 [0,1,0,0,0,1|2,0,0]=4 4317 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 7a_100000736561_100000187820 [0,1,0,0,0,1|2,0,0]=4 4318 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)[O-] 34a_100000736561_100020667443 [0,1,0,0,0,1|2,0,0]=4 4319 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[13CH3] 1458a_200000185146_200025704644 [0,1,0,0,0,1|2,0,0]=4 4320 B13R1.164 Cc1ccc(c(c1)Cl)NCC(=O)N 34a_100000210522_100000187820 [0,1,0,0,0,1|2,0,0]=4 4321 B13R1.164 Cc1ccc(c(c1)Cl)NCC(=O)[O-] 34a_100000210522_100020667443 [0,1,0,0,0,1|2,0,0]=4 4322 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [0,1,0,0,0,1|2,0,0]=4 4323 B13R1.164 Cc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_100000061718_200025704644 [0,1,0,0,0,1|2,0,0]=4 4324 B13R1.164 Cc1ccc(c(c1)F)NCC(=O)N 34a_100000211023_100000187820 [0,1,0,0,0,1|2,0,0]=4 4325 B13R1.164 Cc1ccc(c(c1)F)NCC(=O)[O-] 34a_100000211023_100020667443 [0,1,0,0,0,1|2,0,0]=4 4326 B13R1.164 Cc1ccc(c(c1)I)NCC(=O)N 34a_100011356834_100000187820 [0,1,0,0,0,1|2,0,0]=4 4327 B13R1.164 Cc1ccc(c(c1)I)NCC(=O)[O-] 34a_100011356834_100020667443 [0,1,0,0,0,1|2,0,0]=4 4328 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)N 34a_100000211527_100000187820 [0,1,0,0,0,1|1,0,0]=3 4329 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000211527_100020667443 [0,1,0,0,0,1|1,0,0]=3 4330 B13R1.164 Cc1ccc(c(c1)O)NCC(C)C 34a_100000211527_100000210624 [0,1,0,0,0,1|1,0,1]=4 4331 B13R1.164 Cc1ccc(c(c1)O)NCC(C)O 34a_100000211527_100011218427 [0,1,0,0,0,1|0,0,2]=4 4332 B13R1.164 Cc1ccc(c(c1)O)NC[C@@H](C)O 34a_100000211527_100009817552 [0,1,0,0,0,1|0,0,2]=4 4333 B13R1.164 Cc1ccc(c(c1)O)NC[N+](=O)[O-] 34a_100000211527_100000761209 [0,1,0,0,0,1|2,0,0]=4 4334 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,1,0,0,0,1|2,0,0]=4 4335 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100012002257 [0,1,0,0,0,1|2,0,0]=4 4336 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100012002257_100000747473 [0,1,0,0,0,1|2,0,0]=4 4337 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100012002257_100020667443 [0,1,0,0,0,1|2,0,0]=4 4338 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100012002257 [0,1,0,0,0,1|2,0,0]=4 4339 B13R1.164 NC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000187820 [0,1,0,0,0,1|2,0,0]=4 4340 B13R1.164 NC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000187820 [0,1,0,0,0,1|2,0,0]=4 4341 B13R1.164 NC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000187820 [0,1,0,0,0,1|2,0,0]=4 4342 B13R1.164 NC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000187820 [0,1,0,0,0,1|2,0,0]=4 4343 B13R1.164 NC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000187820 [0,1,0,0,0,1|2,0,0]=4 4344 B13R1.164 NC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000187820 [0,1,0,0,0,1|2,0,0]=4 4345 B13R1.164 NC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000187820 [0,1,0,0,0,1|2,0,0]=4 4346 B13R1.164 NC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000187820 [0,1,0,0,0,1|2,0,0]=4 4347 B13R1.164 NC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000187820 [0,1,0,0,0,1|2,0,0]=4 4348 B13R1.164 NC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000187820 [0,1,0,0,0,1|2,0,0]=4 4349 B13R1.164 NC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000187820 [0,1,0,0,0,1|2,0,0]=4 4350 B13R1.164 NC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000187820 [0,1,0,0,0,1|2,0,0]=4 4351 B13R1.164 NC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000187820 [0,1,0,0,0,1|2,0,0]=4 4352 B13R1.164 NC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000187820 [0,1,0,0,0,1|2,0,0]=4 4353 B13R1.164 NC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000187820 [0,1,0,0,0,1|2,0,0]=4 4354 B13R1.164 NC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000187820 [0,1,0,0,0,1|2,0,0]=4 4355 B13R1.164 NC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000187820 [0,1,0,0,0,1|2,0,0]=4 4356 B13R1.164 NC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000187820 [0,1,0,0,0,1|2,0,0]=4 4357 B13R1.164 NC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000187820 [0,1,0,0,0,1|1,0,0]=3 4358 B13R1.164 NC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000187820 [0,1,0,0,0,1|1,0,0]=3 4359 B13R1.164 NC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000187820 [0,1,0,0,0,1|1,0,0]=3 4360 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,1,0,0,0,1|1,0,0]=3 4361 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100000747473_100012344904 [0,1,0,0,0,1|2,0,0]=4 4362 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747473 [0,1,0,0,0,1|2,0,0]=4 4363 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747473 [0,1,0,0,0,1|2,0,0]=4 4364 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000747473_100000050036 [0,1,0,0,0,1|2,0,0]=4 4365 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747473 [0,1,0,0,0,1|2,0,0]=4 4366 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000747473_100000690578 [0,1,0,0,0,1|2,0,0]=4 4367 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,1,0,0,0,1|2,0,0]=4 4368 B13R1.164 O=C([O-])CNc1ccc(cc1Br)Br 34a_100000211012_100020667443 [0,1,0,0,0,1|2,0,0]=4 4369 B13R1.164 O=C([O-])CNc1ccc(cc1Br)Cl 34a_100000752454_100020667443 [0,1,0,0,0,1|2,0,0]=4 4370 B13R1.164 O=C([O-])CNc1ccc(cc1Br)F 34a_100000738039_100020667443 [0,1,0,0,0,1|2,0,0]=4 4371 B13R1.164 O=C([O-])CNc1ccc(cc1Br)O 34a_100012001276_100020667443 [0,1,0,0,0,1|2,0,0]=4 4372 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)Br 34a_100000211467_100020667443 [0,1,0,0,0,1|2,0,0]=4 4373 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)Cl 34a_100000185861_100020667443 [0,1,0,0,0,1|2,0,0]=4 4374 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)F 34a_100000212003_100020667443 [0,1,0,0,0,1|2,0,0]=4 4375 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)I 34a_100011218065_100020667443 [0,1,0,0,0,1|2,0,0]=4 4376 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100020667443 [0,1,0,0,0,1|2,0,0]=4 4377 B13R1.164 O=C([O-])CNc1ccc(cc1F)Br 34a_100000210722_100020667443 [0,1,0,0,0,1|2,0,0]=4 4378 B13R1.164 O=C([O-])CNc1ccc(cc1F)Cl 34a_100000211020_100020667443 [0,1,0,0,0,1|2,0,0]=4 4379 B13R1.164 O=C([O-])CNc1ccc(cc1F)F 34a_100000210720_100020667443 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.164 O=C([O-])CNc1ccc(cc1F)I 34a_100011215594_100020667443 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.164 O=C([O-])CNc1ccc(cc1F)O 34a_100000759473_100020667443 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.164 O=C([O-])CNc1ccc(cc1I)Br 34a_100000187925_100020667443 [0,1,0,0,0,1|2,0,0]=4 4383 B13R1.164 O=C([O-])CNc1ccc(cc1I)Cl 34a_100000761889_100020667443 [0,1,0,0,0,1|2,0,0]=4 4384 B13R1.164 O=C([O-])CNc1ccc(cc1I)F 34a_100000760547_100020667443 [0,1,0,0,0,1|2,0,0]=4 4385 B13R1.164 O=C([O-])CNc1ccc(cc1I)O 34a_100010084370_100020667443 [0,1,0,0,0,1|2,0,0]=4 4386 B13R1.164 O=C([O-])CNc1ccc(cc1O)Br 34a_100000739049_100020667443 [0,1,0,0,0,1|1,0,0]=3 4387 B13R1.164 O=C([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100020667443 [0,1,0,0,0,1|1,0,0]=3 4388 B13R1.164 O=C([O-])CNc1ccc(cc1O)F 34a_100000753323_100020667443 [0,1,0,0,0,1|1,0,0]=3 4389 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,1,0,0,0,1|1,0,0]=3 4390 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100012344904_100020667443 [0,1,0,0,0,1|2,0,0]=4 4391 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100020667443_100012344904 [0,1,0,0,0,1|2,0,0]=4 4392 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100020667443 [0,1,0,0,0,1|2,0,0]=4 4393 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100020667443_100000050036 [0,1,0,0,0,1|2,0,0]=4 4394 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100000690578_100020667443 [0,1,0,0,0,1|2,0,0]=4 4395 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100020667443_100000690578 [0,1,0,0,0,1|2,0,0]=4 4396 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,1,0,0,0,1|2,0,0]=4 4397 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)Br 34a_100000739049_100000761209 [0,1,0,0,0,1|2,0,0]=4 4398 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100000761209 [0,1,0,0,0,1|2,0,0]=4 4399 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)F 34a_100000753323_100000761209 [0,1,0,0,0,1|2,0,0]=4 4400 B13R1.164 O=[N+]([O-])CNc1ccc(cc1O)O 34a_100000106777_100000761209 [0,1,0,0,0,1|2,0,0]=4 4401 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [0,1,0,0,0,1|2,0,0]=4 4402 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [0,1,0,0,0,1|2,0,0]=4 4403 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [0,1,0,0,0,1|2,0,0]=4 4404 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [0,1,0,0,0,1|2,0,0]=4 4405 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [0,1,0,0,0,1|2,0,0]=4 4406 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [0,1,0,0,0,1|2,0,0]=4 4407 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [0,1,0,0,0,1|2,0,0]=4 4408 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200025704644 [0,1,0,0,0,1|2,0,0]=4 4409 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200025704644 [0,1,0,0,0,1|2,0,0]=4 4410 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200025704644 [0,1,0,0,0,1|2,0,0]=4 4411 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200025704644 [0,1,0,0,0,1|2,0,0]=4 4412 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200025704644 [0,1,0,0,0,1|2,0,0]=4 4413 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200025704644 [0,1,0,0,0,1|2,0,0]=4 4414 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)F 1458a_100000691965_200025704644 [0,1,0,0,0,1|2,0,0]=4 4415 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,1,0,0,0,1|1,0,0]=3 4416 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200025704644 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [0,1,0,0,0,1|2,0,0]=4 4418 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)F 1458a_100000184067_200025704644 [0,1,0,0,0,1|2,0,0]=4 4419 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200025704644 [0,1,0,0,0,1|2,0,0]=4 4420 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [0,1,0,0,0,1|2,0,0]=4 4421 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200025704644 [0,1,0,0,0,1|2,0,0]=4 4422 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Br 1458a_100000184069_200025704644 [0,1,0,0,0,1|2,0,0]=4 4423 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [0,1,0,0,0,1|2,0,0]=4 4424 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)F 1458a_100000737261_200025704644 [0,1,0,0,0,1|2,0,0]=4 4425 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,1,0,0,0,1|1,0,0]=3 4426 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,1,0,0,0,1|2,0,0]=4 4427 B13R1.201 C=C(C)CN(C)c1ccccc1Br 2230a_100020606079_100000748629 [0,1,0,0,0,1|2,0,0]=4 4428 B13R1.201 C=C(C)CN(C)c1ccccc1Br 269982a_100020606079_100000748629 [0,1,0,0,0,1|2,0,0]=4 4429 B13R1.201 C=C(C)CN(C)c1ccccc1Br 34a_100020606079_100000748629 [0,1,0,0,0,1|2,0,0]=4 4430 B13R1.201 C=C(C)CN(C)c1ccccc1C 2230a_100000219699_100000748629 [0,1,0,0,0,1|2,0,0]=4 4431 B13R1.201 C=C(C)CN(C)c1ccccc1C 269982a_100000219699_100000748629 [0,1,0,0,0,1|2,0,0]=4 4432 B13R1.201 C=C(C)CN(C)c1ccccc1C 34a_100000219699_100000748629 [0,1,0,0,0,1|2,0,0]=4 4433 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000748629 [0,1,0,0,0,1|2,0,0]=4 4434 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000748629 [0,1,0,0,0,1|2,0,0]=4 4435 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 34a_100000219374_100000748629 [0,1,0,0,0,1|2,0,0]=4 4436 B13R1.201 C=C(C)CN(C)c1ccccc1F 2230a_100000220357_100000748629 [0,1,0,0,0,1|2,0,0]=4 4437 B13R1.201 C=C(C)CN(C)c1ccccc1F 269982a_100000220357_100000748629 [0,1,0,0,0,1|2,0,0]=4 4438 B13R1.201 C=C(C)CN(C)c1ccccc1F 34a_100000220357_100000748629 [0,1,0,0,0,1|2,0,0]=4 4439 B13R1.201 C=C(C)CN(C)c1ccccc1F 38a_100000220357_100000748629 [0,1,0,0,0,1|2,0,0]=4 4440 B13R1.201 C=C(C)CN(C)c1ccccc1O 269982a_100000033821_100000748629 [0,1,0,0,0,1|1,0,0]=3 4441 B13R1.201 C=C(F)CN(C)c1ccccc1O 269982a_100000033821_100009893438 [0,1,0,0,0,1|1,0,1]=4 4442 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,1,0,0,0,1|2,0,0]=4 4443 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,1,0,0,0,1|2,0,0]=4 4444 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,1,0,0,0,1|2,0,0]=4 4445 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,1,0,0,0,1|2,0,0]=4 4446 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,1,0,0,0,1|1,0,0]=3 4447 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,1,0,0,0,1|1,0,0]=3 4448 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,1,0,0,0,1|2,0,0]=4 4449 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,1,0,0,0,1|2,0,0]=4 4450 B13R1.201 CC(=O)NC(C)c1ccccc1Br 11a_100000181357_100015343762 [0,1,0,0,0,1|1,0,0]=3 4451 B13R1.201 CC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100015343762 [0,1,0,0,0,1|1,0,0]=3 4452 B13R1.201 CC(=O)NC(C)c1ccccc1Br 240690a_100000181357_100015343762 [0,1,0,0,0,1|1,0,0]=3 4453 B13R1.201 CC(=O)NC(C)c1ccccc1Br 527a_100000181357_100103153847 [0,1,0,0,0,1|1,0,0]=3 4454 B13R1.201 CC(=O)NC(C)c1ccccc1C 11a_100000181355_100015343762 [0,1,0,0,0,1|1,0,0]=3 4455 B13R1.201 CC(=O)NC(C)c1ccccc1C 1626a_100000181355_100015343762 [0,1,0,0,0,1|1,0,0]=3 4456 B13R1.201 CC(=O)NC(C)c1ccccc1C 240690a_100000181355_100015343762 [0,1,0,0,0,1|1,0,0]=3 4457 B13R1.201 CC(=O)NC(C)c1ccccc1C 527a_100000181355_100103153847 [0,1,0,0,0,1|1,0,0]=3 4458 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100015343762 [0,1,0,0,0,1|1,0,0]=3 4459 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100015343762 [0,1,0,0,0,1|1,0,0]=3 4460 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100015343762 [0,1,0,0,0,1|1,0,0]=3 4461 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100103153847 [0,1,0,0,0,1|1,0,0]=3 4462 B13R1.201 CC(=O)NC(C)c1ccccc1F 11a_100000181408_100015343762 [0,1,0,0,0,1|1,0,0]=3 4463 B13R1.201 CC(=O)NC(C)c1ccccc1F 1626a_100000181408_100015343762 [0,1,0,0,0,1|1,0,0]=3 4464 B13R1.201 CC(=O)NC(C)c1ccccc1F 240690a_100000181408_100015343762 [0,1,0,0,0,1|1,0,0]=3 4465 B13R1.201 CC(=O)NC(C)c1ccccc1F 527a_100000181408_100103153847 [0,1,0,0,0,1|1,0,0]=3 4466 B13R1.201 CC(=O)NC(C)c1cccnc1O 11a_100159269580_100015343762 [0,1,0,0,0,1|1,0,0]=3 4467 B13R1.201 CC(=O)NC(C)c1cccnc1O 240690a_100159269580_100015343762 [0,1,0,0,0,1|1,0,0]=3 4468 B13R1.201 CC(=O)NC(C)c1cccnc1O 527a_100159269580_100103153847 [0,1,0,0,0,1|1,0,0]=3 4469 B13R1.201 CC(=O)NC(C)c1ncccc1Br 11a_100159271932_100015343762 [0,1,0,0,0,1|2,0,0]=4 4470 B13R1.201 CC(=O)NC(C)c1ncccc1Br 1626a_100159271932_100015343762 [0,1,0,0,0,1|2,0,0]=4 4471 B13R1.201 CC(=O)NC(C)c1ncccc1Br 240690a_100159271932_100015343762 [0,1,0,0,0,1|2,0,0]=4 4472 B13R1.201 CC(=O)NC(C)c1ncccc1Br 527a_100159271932_100103153847 [0,1,0,0,0,1|2,0,0]=4 4473 B13R1.201 CC(=O)NC(C)c1ncccc1C 11a_100011536111_100015343762 [0,1,0,0,0,1|2,0,0]=4 4474 B13R1.201 CC(=O)NC(C)c1ncccc1C 1626a_100011536111_100015343762 [0,1,0,0,0,1|2,0,0]=4 4475 B13R1.201 CC(=O)NC(C)c1ncccc1C 240690a_100011536111_100015343762 [0,1,0,0,0,1|2,0,0]=4 4476 B13R1.201 CC(=O)NC(C)c1ncccc1C 527a_100011536111_100103153847 [0,1,0,0,0,1|2,0,0]=4 4477 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100015343762 [0,1,0,0,0,1|0,0,0]=2 4478 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100103153847 [0,1,0,0,0,1|0,0,0]=2 4479 B13R1.201 CC(C)CN(C)c1ccccc1O 269982a_100000033821_100000210624 [0,1,0,0,0,1|1,0,1]=4 4480 B13R1.201 CC(C)NC(=O)c1ccccc1O 240690a_100138425928_100015234032 [0,1,0,0,0,1|1,0,1]=4 4481 B13R1.201 CC(C)NC(=O)c1ccccc1O 271570a_203496583355_200000152627 [0,1,0,0,0,1|1,0,1]=4 4482 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [0,1,0,0,0,1|1,0,1]=4 4483 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,1,0,0,0,1|2,0,0]=4 4484 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,1,0,0,0,1|2,0,0]=4 4485 B13R1.201 CC(O)CN(C)c1ccccc1O 269982a_100000033821_100011218427 [0,1,0,0,0,1|0,0,2]=4 4486 B13R1.201 CN(CC(=O)N)c1ccccc1Br 2230a_100020606079_100000747473 [0,1,0,0,0,1|2,0,0]=4 4487 B13R1.201 CN(CC(=O)N)c1ccccc1Br 269982a_100020606079_100000187820 [0,1,0,0,0,1|2,0,0]=4 4488 B13R1.201 CN(CC(=O)N)c1ccccc1Br 34a_100020606079_100000187820 [0,1,0,0,0,1|2,0,0]=4 4489 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 2230a_100000219374_100000747473 [0,1,0,0,0,1|2,0,0]=4 4490 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 269982a_100000219374_100000187820 [0,1,0,0,0,1|2,0,0]=4 4491 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 34a_100000219374_100000187820 [0,1,0,0,0,1|2,0,0]=4 4492 B13R1.201 CN(CC(=O)N)c1ccccc1F 2230a_100000220357_100000747473 [0,1,0,0,0,1|2,0,0]=4 4493 B13R1.201 CN(CC(=O)N)c1ccccc1F 269982a_100000220357_100000187820 [0,1,0,0,0,1|2,0,0]=4 4494 B13R1.201 CN(CC(=O)N)c1ccccc1F 34a_100000220357_100000187820 [0,1,0,0,0,1|2,0,0]=4 4495 B13R1.201 CN(CC(=O)N)c1ccccc1F 38a_100000220357_100000747473 [0,1,0,0,0,1|2,0,0]=4 4496 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [0,1,0,0,0,1|1,0,0]=3 4497 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,0,0,0,1|2,0,0]=4 4498 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,0,0,0,1|2,0,0]=4 4499 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 269982a_100020606079_100020667443 [0,1,0,0,0,1|2,0,0]=4 4500 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 34a_100020606079_100020667443 [0,1,0,0,0,1|2,0,0]=4 4501 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 269982a_100000219374_100020667443 [0,1,0,0,0,1|2,0,0]=4 4502 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 34a_100000219374_100020667443 [0,1,0,0,0,1|2,0,0]=4 4503 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 269982a_100000220357_100020667443 [0,1,0,0,0,1|2,0,0]=4 4504 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 34a_100000220357_100020667443 [0,1,0,0,0,1|2,0,0]=4 4505 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 38a_100000220357_100020667443 [0,1,0,0,0,1|2,0,0]=4 4506 B13R1.201 CN(CC(=O)[O-])c1ccccc1O 269982a_100000033821_100020667443 [0,1,0,0,0,1|1,0,0]=3 4507 B13R1.201 CN(C[N+](=O)[O-])c1ccccc1O 269982a_100000033821_100000761209 [0,1,0,0,0,1|2,0,0]=4 4508 B13R1.201 C[C@@H](O)CN(C)c1ccccc1O 269982a_100000033821_100009817552 [0,1,0,0,0,1|0,0,2]=4 4509 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [0,1,0,0,0,1|2,0,0]=4 4510 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [0,1,0,0,0,1|2,0,0]=4 4511 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [0,1,0,0,0,1|2,0,0]=4 4512 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,0,0,0,1|2,0,0]=4 4513 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 269982a_100000219699_100020667443 [0,1,0,0,0,1|2,0,0]=4 4514 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 34a_100000219699_100020667443 [0,1,0,0,0,1|2,0,0]=4 4515 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,0,0,0,1|2,0,0]=4 4516 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,1,0,0,0,1|2,0,0]=4 4517 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,1,0,0,0,1|2,0,0]=4 4518 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,0,0,0,1|2,0,0]=4 4519 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,0,0,0,1|2,0,0]=4 4520 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,0,0,0,1|2,0,0]=4 4521 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,0,0,0,1|2,0,0]=4 4522 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,0,0,0,1|2,0,0]=4 4523 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,0,0,0,1|2,0,0]=4 4524 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,0,0,0,1|2,0,0]=4 4525 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,0,0,0,1|2,0,0]=4 4526 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,0,0,0,1|2,0,0]=4 4527 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,0,0,0,1|2,0,0]=4 4528 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,0,0,0,1|2,0,0]=4 4529 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,0,0,0,1|2,0,0]=4 4530 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,0,0,0,1|2,0,0]=4 4531 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,0,0,0,1|2,0,0]=4 4532 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,0,0,0,1|2,0,0]=4 4533 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,0,0,0,1|1,0,0]=3 4534 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,0,0,0,1|1,0,1]=4 4535 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,0,0,0,1|1,0,1]=4 4536 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,0,0,0,1|2,0,0]=4 4537 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,0,0,0,1|2,0,0]=4 4538 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,0,0,0,1|1,0,0]=3 4539 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,0,0,0,1|1,0,0]=3 4540 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,1,0,0,0,1|2,0,0]=4 4541 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,1,0,0,0,1|2,0,0]=4 4542 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,1,0,0,0,1|2,0,0]=4 4543 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,1,0,0,0,1|2,0,0]=4 4544 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,1,0,0,0,1|2,0,0]=4 4545 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,1,0,0,0,1|2,0,0]=4 4546 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,1,0,0,0,1|2,0,0]=4 4547 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,1,0,0,0,1|2,0,0]=4 4548 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,1,0,0,0,1|2,0,0]=4 4549 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,1,0,0,0,1|2,0,0]=4 4550 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100009814033 [0,1,0,0,0,1|2,0,0]=4 4551 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100009814033_100000695589 [0,1,0,0,0,1|2,0,0]=4 4552 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [0,1,0,0,0,1|2,0,0]=4 4553 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [0,1,0,0,0,1|2,0,0]=4 4554 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,1,0,0,0,1|2,0,0]=4 4555 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,1,0,0,0,1|2,0,0]=4 4556 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,1,0,0,0,1|2,0,0]=4 4557 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100009814033_100011215700 [0,1,0,0,0,1|2,0,0]=4 4558 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100011215700_100009814033 [0,1,0,0,0,1|2,0,0]=4 4559 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100000210017_100009814033 [0,1,0,0,0,1|2,0,0]=4 4560 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100009814033_100000210017 [0,1,0,0,0,1|2,0,0]=4 4561 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,1,0,0,0,1|1,0,0]=3 4562 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,1,0,0,0,1|1,0,0]=3 4563 B13R1.202 CC(=O)C(C)Sc1cccnc1O 62a_100000760158_100009814033 [0,1,0,0,0,1|2,0,0]=4 4564 B13R1.202 CC(=O)C(C)Sc1cccnc1O 62a_100009814033_100000760158 [0,1,0,0,0,1|2,0,0]=4 4565 B13R1.202 CC(=O)C(C)Sc1ccncc1O 62a_100009814033_100009817591 [0,1,0,0,0,1|2,0,0]=4 4566 B13R1.202 CC(=O)C(C)Sc1ccncc1O 62a_100009817591_100009814033 [0,1,0,0,0,1|2,0,0]=4 4567 B13R1.202 CC(=O)C(C)Sc1ncccc1O 62a_100000034122_100009814033 [0,1,0,0,0,1|2,0,0]=4 4568 B13R1.202 CC(=O)C(C)Sc1ncccc1O 62a_100009814033_100000034122 [0,1,0,0,0,1|2,0,0]=4 4569 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,1,0,0,0,1|2,0,0]=4 4570 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,1,0,0,0,1|2,0,0]=4 4571 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 11a_100000184654_100015343762 [0,1,0,0,0,1|1,0,0]=3 4572 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100015343762 [0,1,0,0,0,1|1,0,0]=3 4573 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 240690a_100000184654_100015343762 [0,1,0,0,0,1|1,0,0]=3 4574 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100103153847 [0,1,0,0,0,1|1,0,0]=3 4575 B13R1.202 CC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100015343762 [0,1,0,0,0,1|1,0,0]=3 4576 B13R1.202 CC(=O)N(C)Cc1ccccc1C 240690a_100000184421_100015343762 [0,1,0,0,0,1|1,0,0]=3 4577 B13R1.202 CC(=O)N(C)Cc1ccccc1C 527a_100000184421_100103153847 [0,1,0,0,0,1|1,0,0]=3 4578 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,1,0,0,0,1|1,0,0]=3 4579 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,1,0,0,0,1|1,0,0]=3 4580 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,1,0,0,0,1|1,0,0]=3 4581 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,1,0,0,0,1|1,0,0]=3 4582 B13R1.202 CC(=O)N(C)Cc1ccccc1F 11a_100000742528_100015343762 [0,1,0,0,0,1|1,0,0]=3 4583 B13R1.202 CC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100015343762 [0,1,0,0,0,1|1,0,0]=3 4584 B13R1.202 CC(=O)N(C)Cc1ccccc1F 240690a_100000742528_100015343762 [0,1,0,0,0,1|1,0,0]=3 4585 B13R1.202 CC(=O)N(C)Cc1ccccc1F 527a_100000742528_100103153847 [0,1,0,0,0,1|1,0,0]=3 4586 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,1,0,0,0,1|0,0,0]=2 4587 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,1,0,0,0,1|0,0,0]=2 4588 B13R1.202 CC(=O)N(C)Cc1cccnc1C 11a_200011875998_100015343762 [0,1,0,0,0,1|2,0,0]=4 4589 B13R1.202 CC(=O)N(C)Cc1cccnc1C 240690a_200011875998_100015343762 [0,1,0,0,0,1|2,0,0]=4 4590 B13R1.202 CC(=O)N(C)Cc1cccnc1C 527a_200011875998_100103153847 [0,1,0,0,0,1|2,0,0]=4 4591 B13R1.202 CC(=O)N(C)Cc1cccnc1Cl 11a_103496529121_100015343762 [0,1,0,0,0,1|2,0,0]=4 4592 B13R1.202 CC(=O)N(C)Cc1cccnc1Cl 240690a_103496529121_100015343762 [0,1,0,0,0,1|2,0,0]=4 4593 B13R1.202 CC(=O)N(C)Cc1cccnc1Cl 527a_103496529121_100103153847 [0,1,0,0,0,1|2,0,0]=4 4594 B13R1.202 CC(=O)N(C)Cc1ccncc1C 240690a_100015187836_100015343762 [0,1,0,0,0,1|2,0,0]=4 4595 B13R1.202 CC(=O)N(C)Cc1ccncc1C 527a_100015187836_100103153847 [0,1,0,0,0,1|2,0,0]=4 4596 B13R1.202 CC(C)C(=O)Nc1ccccc1O 22a_100000185747_100000210198 [0,1,0,0,0,1|1,0,1]=4 4597 B13R1.202 CC(C)C(=O)Nc1ccccc1O 527a_100000185747_100000210198 [0,1,0,0,0,1|1,0,1]=4 4598 B13R1.202 CC(C)N(C)Cc1ccccc1O 2230a_100015189988_100000210206 [0,1,0,0,0,1|1,0,1]=4 4599 B13R1.202 CC(C)N(C)Cc1ccccc1O 269982a_100015189988_100000210206 [0,1,0,0,0,1|1,0,1]=4 4600 B13R1.202 CC(F)C(=O)Nc1ccccc1O 22a_100000185747_100000062450 [0,1,0,0,0,1|1,0,1]=4 4601 B13R1.202 CC(F)C(=O)Nc1ccccc1O 527a_100000185747_100000062450 [0,1,0,0,0,1|1,0,1]=4 4602 B13R1.202 CC(Nc1ccccc1Br)C(=O)N 34a_100000210017_100000702099 [0,1,0,0,0,1|2,0,0]=4 4603 B13R1.202 CC(Nc1ccccc1Cl)C(=O)N 34a_100000185783_100000702099 [0,1,0,0,0,1|2,0,0]=4 4604 B13R1.202 CC(Nc1ccccc1F)C(=O)N 34a_100000210422_100000702099 [0,1,0,0,0,1|2,0,0]=4 4605 B13R1.202 CC(Nc1ccccc1I)C(=O)N 34a_100000210053_100000702099 [0,1,0,0,0,1|2,0,0]=4 4606 B13R1.202 CC(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702099 [0,1,0,0,0,1|1,0,0]=3 4607 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,1,0,0,0,1|2,0,0]=4 4608 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,1,0,0,0,1|2,0,0]=4 4609 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,1,0,0,0,1|2,0,0]=4 4610 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,1,0,0,0,1|2,0,0]=4 4611 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,1,0,0,0,1|2,0,0]=4 4612 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000702099_100000739446 [0,1,0,0,0,1|2,0,0]=4 4613 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702099 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.202 CN(C)C(=O)Nc1ccccc1O 2430a_100000185747_100102631434 [0,1,0,0,0,1|2,0,0]=4 4615 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,0,0,0,1|0,0,2]=4 4616 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,0,0,0,1|0,0,2]=4 4617 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,0,0,0,1|2,0,0]=4 4618 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,0,0,0,1|1,0,0]=3 4619 B13R1.202 Cc1ccccc1NC(C)C(=O)N 34a_100015192222_100000702099 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.202 Cc1ccccc1NC(F)C(=O)N 34a_100015192222_100009813875 [0,1,0,0,0,1|2,0,0]=4 4621 B13R1.202 Cc1ccccc1NC(F)C(=O)[O-] 34a_100015192222_100020610796 [0,1,0,0,0,1|2,0,0]=4 4622 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,1,0,0,0,1|2,0,0]=4 4623 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,0,0,0,1|2,0,0]=4 4624 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,0,0,0,1|2,0,0]=4 4625 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,0,0,0,1|1,0,0]=3 4626 B13R1.202 NC(=O)C(F)Nc1ccccc1Br 34a_100000210017_100009813875 [0,1,0,0,0,1|2,0,0]=4 4627 B13R1.202 NC(=O)C(F)Nc1ccccc1Cl 34a_100000185783_100009813875 [0,1,0,0,0,1|2,0,0]=4 4628 B13R1.202 NC(=O)C(F)Nc1ccccc1F 34a_100000210422_100009813875 [0,1,0,0,0,1|2,0,0]=4 4629 B13R1.202 NC(=O)C(F)Nc1ccccc1I 34a_100000210053_100009813875 [0,1,0,0,0,1|2,0,0]=4 4630 B13R1.202 NC(=O)C(F)Nc1ccccc1O 34a_100000185747_100009813875 [0,1,0,0,0,1|1,0,0]=3 4631 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100000739446_100009813875 [0,1,0,0,0,1|2,0,0]=4 4632 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100009813875_100000739446 [0,1,0,0,0,1|2,0,0]=4 4633 B13R1.202 O=C([O-])C(F)Nc1ccccc1Br 34a_100000210017_100020610796 [0,1,0,0,0,1|2,0,0]=4 4634 B13R1.202 O=C([O-])C(F)Nc1ccccc1Cl 34a_100000185783_100020610796 [0,1,0,0,0,1|2,0,0]=4 4635 B13R1.202 O=C([O-])C(F)Nc1ccccc1F 34a_100000210422_100020610796 [0,1,0,0,0,1|2,0,0]=4 4636 B13R1.202 O=C([O-])C(F)Nc1ccccc1I 34a_100000210053_100020610796 [0,1,0,0,0,1|2,0,0]=4 4637 B13R1.202 O=C([O-])C(F)Nc1ccccc1O 34a_100000185747_100020610796 [0,1,0,0,0,1|1,0,0]=3 4638 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100000739446_100020610796 [0,1,0,0,0,1|2,0,0]=4 4639 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100020610796_100000739446 [0,1,0,0,0,1|2,0,0]=4 4640 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,0,0,0,1|1,0,0]=3 4641 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,1,0,0,0,1|2,0,0]=4 4642 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,1,0,0,0,1|2,0,0]=4 4643 B13R1.528 C#CC(=NNc1ccccc1Br)C 4a_100000241748_100000690481 [0,1,0,0,0,1|2,0,0]=4 4644 B13R1.528 C#CC(=NNc1ccccc1C)C 4a_100000184220_100000690481 [0,1,0,0,0,1|2,0,0]=4 4645 B13R1.528 C#CC(=NNc1ccccc1Cl)C 4a_100000683529_100000690481 [0,1,0,0,0,1|2,0,0]=4 4646 B13R1.528 C#CC(=NNc1ccccc1F)C 4a_100000239246_100000690481 [0,1,0,0,0,1|2,0,0]=4 4647 B13R1.528 C#CC(=NNc1ccccc1I)C 4a_100011218156_100000690481 [0,1,0,0,0,1|2,0,0]=4 4648 B13R1.528 C#CC(=O)CCc1ccccc1O 1458a_100000211873_100000722297 [0,1,0,0,0,1|1,0,1]=4 4649 B13R1.528 C#CC(C)NCc1ccccc1O 34a_100000185550_200000035995 [0,1,0,0,0,1|1,0,1]=4 4650 B13R1.528 C=C(C#N)CNc1ccccc1O 34a_100000185747_100000694840 [0,1,0,0,0,1|1,0,1]=4 4651 B13R1.528 C=CC(=NNc1ccccc1Br)C 4a_100000241748_200015361842 [0,1,0,0,0,1|2,0,0]=4 4652 B13R1.528 C=CC(=NNc1ccccc1C)C 4a_100000184220_200015361842 [0,1,0,0,0,1|2,0,0]=4 4653 B13R1.528 C=CC(=NNc1ccccc1Cl)C 4a_100000683529_200015361842 [0,1,0,0,0,1|2,0,0]=4 4654 B13R1.528 C=CC(=NNc1ccccc1F)C 4a_100000239246_200015361842 [0,1,0,0,0,1|2,0,0]=4 4655 B13R1.528 C=CC(=NNc1ccccc1I)C 4a_100011218156_200015361842 [0,1,0,0,0,1|2,0,0]=4 4656 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,1,0,0,0,1|1,0,1]=4 4657 B13R1.528 C=CC(=O)NCc1ccccc1Br 1626a_100000689332_100000185746 [0,1,0,0,0,1|1,0,1]=4 4658 B13R1.528 C=CC(=O)NCc1ccccc1Br 240690a_100000689332_200121576911 [0,1,0,0,0,1|1,0,1]=4 4659 B13R1.528 C=CC(=O)NCc1ccccc1C 1626a_100000174972_100000185746 [0,1,0,0,0,1|1,0,1]=4 4660 B13R1.528 C=CC(=O)NCc1ccccc1C 240690a_100000174972_200121576911 [0,1,0,0,0,1|1,0,1]=4 4661 B13R1.528 C=CC(=O)NCc1ccccc1Cl 1626a_100000174879_100000185746 [0,1,0,0,0,1|1,0,1]=4 4662 B13R1.528 C=CC(=O)NCc1ccccc1Cl 240690a_100000174879_200121576911 [0,1,0,0,0,1|1,0,1]=4 4663 B13R1.528 C=CC(=O)NCc1ccccc1F 1626a_100000174869_100000185746 [0,1,0,0,0,1|1,0,1]=4 4664 B13R1.528 C=CC(=O)NCc1ccccc1F 240690a_100000174869_200121576911 [0,1,0,0,0,1|1,0,1]=4 4665 B13R1.528 C=CC(=O)NCc1ccccc1I 1626a_100015347259_100000185746 [0,1,0,0,0,1|1,0,1]=4 4666 B13R1.528 C=CC(=O)NCc1ccccc1I 240690a_100015347259_200121576911 [0,1,0,0,0,1|1,0,1]=4 4667 B13R1.528 C=CC(=O)NCc1ccccc1O 240690a_100000185550_200121576911 [0,1,0,0,0,1|0,0,1]=3 4668 B13R1.528 C=CC(=O)NNc1ccccc1Br 22a_100000241748_100000185746 [0,1,0,0,0,1|1,0,1]=4 4669 B13R1.528 C=CC(=O)NNc1ccccc1C 22a_100000184220_100000185746 [0,1,0,0,0,1|1,0,1]=4 4670 B13R1.528 C=CC(=O)NNc1ccccc1Cl 22a_100000683529_100000185746 [0,1,0,0,0,1|1,0,1]=4 4671 B13R1.528 C=CC(=O)NNc1ccccc1F 22a_100000239246_100000185746 [0,1,0,0,0,1|1,0,1]=4 4672 B13R1.528 C=CC(=O)NNc1ccccc1I 22a_100011218156_100000185746 [0,1,0,0,0,1|1,0,1]=4 4673 B13R1.528 CC(=NNc1ccccc1Br)CF 4a_100000241748_100000039719 [0,1,0,0,0,1|2,0,0]=4 4674 B13R1.528 CC(=NNc1ccccc1Br)CO 4a_100000241748_100000211253 [0,1,0,0,0,1|1,0,1]=4 4675 B13R1.528 CC(=NNc1ccccc1C)CF 4a_100000184220_100000039719 [0,1,0,0,0,1|2,0,0]=4 4676 B13R1.528 CC(=NNc1ccccc1C)CO 4a_100000184220_100000211253 [0,1,0,0,0,1|1,0,1]=4 4677 B13R1.528 CC(=NNc1ccccc1Cl)CF 4a_100000683529_100000039719 [0,1,0,0,0,1|2,0,0]=4 4678 B13R1.528 CC(=NNc1ccccc1Cl)CO 4a_100000683529_100000211253 [0,1,0,0,0,1|1,0,1]=4 4679 B13R1.528 CC(=NNc1ccccc1F)CF 4a_100000239246_100000039719 [0,1,0,0,0,1|2,0,0]=4 4680 B13R1.528 CC(=NNc1ccccc1F)CO 4a_100000239246_100000211253 [0,1,0,0,0,1|1,0,1]=4 4681 B13R1.528 CC(=NNc1ccccc1I)CF 4a_100011218156_100000039719 [0,1,0,0,0,1|2,0,0]=4 4682 B13R1.528 CC(=NNc1ccccc1I)CO 4a_100011218156_100000211253 [0,1,0,0,0,1|1,0,1]=4 4683 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,1,0,0,0,1|0,0,2]=4 4684 B13R1.528 CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210202 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,1,0,0,0,1|2,0,0]=4 4687 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,1,0,0,0,1|2,0,0]=4 4688 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,0,0,0,1|1,0,0]=3 4689 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,1,0,0,0,1|2,0,0]=4 4690 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,1,0,0,0,1|2,0,0]=4 4691 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,1,0,0,0,1|2,0,0]=4 4692 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,1,0,0,0,1|2,0,0]=4 4693 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,1,0,0,0,1|2,0,0]=4 4695 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,1,0,0,0,1|2,0,0]=4 4696 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,1,0,0,0,1|2,0,0]=4 4698 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,1,0,0,0,1|1,0,0]=3 4699 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,1,0,0,0,1|1,0,0]=3 4700 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [0,1,0,0,0,1|2,0,0]=4 4703 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [0,1,0,0,0,1|2,0,0]=4 4704 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [0,1,0,0,0,1|2,0,0]=4 4705 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [0,1,0,0,0,1|2,0,0]=4 4708 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [0,1,0,0,0,1|2,0,0]=4 4709 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [0,1,0,0,0,1|2,0,0]=4 4710 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,1,0,0,0,1|1,0,0]=3 4711 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000695589_100000747405 [0,1,0,0,0,1|2,0,0]=4 4712 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000747405_100000695589 [0,1,0,0,0,1|2,0,0]=4 4713 B13R1.528 CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210202 [0,1,0,0,0,1|2,0,0]=4 4714 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000210755_100000747405 [0,1,0,0,0,1|2,0,0]=4 4715 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000747405_100000210755 [0,1,0,0,0,1|2,0,0]=4 4716 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000747405_100000764095 [0,1,0,0,0,1|2,0,0]=4 4717 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747405 [0,1,0,0,0,1|2,0,0]=4 4718 B13R1.528 CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210202 [0,1,0,0,0,1|2,0,0]=4 4719 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100000747405_100011215700 [0,1,0,0,0,1|2,0,0]=4 4720 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100011215700_100000747405 [0,1,0,0,0,1|2,0,0]=4 4721 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000210017_100000747405 [0,1,0,0,0,1|2,0,0]=4 4722 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000747405_100000210017 [0,1,0,0,0,1|2,0,0]=4 4723 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [0,1,0,0,0,1|1,0,0]=3 4724 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [0,1,0,0,0,1|1,0,0]=3 4725 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [0,1,0,0,0,1|1,0,0]=3 4726 B13R1.528 CCC(=O)CSc1cccnc1O 62a_100000747405_100000760158 [0,1,0,0,0,1|2,0,0]=4 4727 B13R1.528 CCC(=O)CSc1cccnc1O 62a_100000760158_100000747405 [0,1,0,0,0,1|2,0,0]=4 4728 B13R1.528 CCC(=O)CSc1ccncc1O 62a_100000747405_100009817591 [0,1,0,0,0,1|2,0,0]=4 4729 B13R1.528 CCC(=O)CSc1ccncc1O 62a_100009817591_100000747405 [0,1,0,0,0,1|2,0,0]=4 4730 B13R1.528 CCC(=O)CSc1ncccc1O 62a_100000034122_100000747405 [0,1,0,0,0,1|2,0,0]=4 4731 B13R1.528 CCC(=O)CSc1ncccc1O 62a_100000747405_100000034122 [0,1,0,0,0,1|2,0,0]=4 4732 B13R1.528 CCC(=O)NCc1ccccc1Br 11a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 4733 B13R1.528 CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 4734 B13R1.528 CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 4735 B13R1.528 CCC(=O)NCc1ccccc1Br 527a_100000689332_100000210414 [0,1,0,0,0,1|1,0,0]=3 4736 B13R1.528 CCC(=O)NCc1ccccc1C 11a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 4737 B13R1.528 CCC(=O)NCc1ccccc1C 1626a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 4738 B13R1.528 CCC(=O)NCc1ccccc1C 240690a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 4739 B13R1.528 CCC(=O)NCc1ccccc1C 527a_100000174972_100000210414 [0,1,0,0,0,1|1,0,0]=3 4740 B13R1.528 CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 4741 B13R1.528 CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 4742 B13R1.528 CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 4743 B13R1.528 CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210414 [0,1,0,0,0,1|1,0,0]=3 4744 B13R1.528 CCC(=O)NCc1ccccc1F 11a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 4745 B13R1.528 CCC(=O)NCc1ccccc1F 1626a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 4746 B13R1.528 CCC(=O)NCc1ccccc1F 240690a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 4747 B13R1.528 CCC(=O)NCc1ccccc1F 527a_100000174869_100000210414 [0,1,0,0,0,1|1,0,0]=3 4748 B13R1.528 CCC(=O)NCc1ccccc1I 11a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 4749 B13R1.528 CCC(=O)NCc1ccccc1I 1626a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 4750 B13R1.528 CCC(=O)NCc1ccccc1I 240690a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 4751 B13R1.528 CCC(=O)NCc1ccccc1I 527a_100015347259_100000210414 [0,1,0,0,0,1|1,0,0]=3 4752 B13R1.528 CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210414 [0,1,0,0,0,1|0,0,0]=2 4753 B13R1.528 CCC(=O)NCc1ccccc1O 527a_100000185550_100000210414 [0,1,0,0,0,1|0,0,0]=2 4754 B13R1.528 CCC(=O)NCc1cccnc1Br 11a_100009818023_100000210414 [0,1,0,0,0,1|2,0,0]=4 4755 B13R1.528 CCC(=O)NCc1cccnc1Br 240690a_100009818023_100000210414 [0,1,0,0,0,1|2,0,0]=4 4756 B13R1.528 CCC(=O)NCc1cccnc1Br 527a_100009818023_100000210414 [0,1,0,0,0,1|2,0,0]=4 4757 B13R1.528 CCC(=O)NCc1cccnc1Cl 11a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 4758 B13R1.528 CCC(=O)NCc1cccnc1Cl 1626a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 4759 B13R1.528 CCC(=O)NCc1cccnc1Cl 240690a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 4760 B13R1.528 CCC(=O)NCc1cccnc1Cl 527a_100015189234_100000210414 [0,1,0,0,0,1|2,0,0]=4 4761 B13R1.528 CCC(=O)NCc1cccnc1F 11a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4762 B13R1.528 CCC(=O)NCc1cccnc1F 1626a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4763 B13R1.528 CCC(=O)NCc1cccnc1F 240690a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4764 B13R1.528 CCC(=O)NCc1cccnc1F 527a_100000724633_100000210414 [0,1,0,0,0,1|2,0,0]=4 4765 B13R1.528 CCC(=O)NCc1ccncc1Br 11a_100020640021_100000210414 [0,1,0,0,0,1|2,0,0]=4 4766 B13R1.528 CCC(=O)NCc1ccncc1Br 240690a_100020640021_100000210414 [0,1,0,0,0,1|2,0,0]=4 4767 B13R1.528 CCC(=O)NCc1ccncc1Br 527a_100020640021_100000210414 [0,1,0,0,0,1|2,0,0]=4 4768 B13R1.528 CCC(=O)NCc1ccncc1C 11a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 4769 B13R1.528 CCC(=O)NCc1ccncc1C 1626a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 4770 B13R1.528 CCC(=O)NCc1ccncc1C 240690a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 4771 B13R1.528 CCC(=O)NCc1ccncc1C 527a_100000708811_100000210414 [0,1,0,0,0,1|2,0,0]=4 4772 B13R1.528 CCC(=O)NCc1ccncc1F 11a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 4773 B13R1.528 CCC(=O)NCc1ccncc1F 1626a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 4774 B13R1.528 CCC(=O)NCc1ccncc1F 240690a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 4775 B13R1.528 CCC(=O)NCc1ccncc1F 527a_100011935246_100000210414 [0,1,0,0,0,1|2,0,0]=4 4776 B13R1.528 CCC(=O)NCc1cnccc1C 11a_100011997553_100000210414 [0,1,0,0,0,1|2,0,0]=4 4777 B13R1.528 CCC(=O)NCc1cnccc1C 240690a_100011997553_100000210414 [0,1,0,0,0,1|2,0,0]=4 4778 B13R1.528 CCC(=O)NCc1cnccc1C 527a_100011997553_100000210414 [0,1,0,0,0,1|2,0,0]=4 4779 B13R1.528 CCC(=O)NCc1ncccc1Br 11a_100020591323_100000210414 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.528 CCC(=O)NCc1ncccc1Br 240690a_100020591323_100000210414 [0,1,0,0,0,1|2,0,0]=4 4781 B13R1.528 CCC(=O)NCc1ncccc1Br 527a_100020591323_100000210414 [0,1,0,0,0,1|2,0,0]=4 4782 B13R1.528 CCC(=O)NCc1ncccc1C 11a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.528 CCC(=O)NCc1ncccc1C 1626a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.528 CCC(=O)NCc1ncccc1C 240690a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 4785 B13R1.528 CCC(=O)NCc1ncccc1C 527a_100011223789_100000210414 [0,1,0,0,0,1|2,0,0]=4 4786 B13R1.528 CCC(=O)NCc1ncccc1Cl 11a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 4787 B13R1.528 CCC(=O)NCc1ncccc1Cl 1626a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.528 CCC(=O)NCc1ncccc1Cl 240690a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.528 CCC(=O)NCc1ncccc1Cl 527a_100015189233_100000210414 [0,1,0,0,0,1|2,0,0]=4 4790 B13R1.528 CCC(=O)NCc1ncccc1F 11a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 4791 B13R1.528 CCC(=O)NCc1ncccc1F 1626a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.528 CCC(=O)NCc1ncccc1F 240690a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.528 CCC(=O)NCc1ncccc1F 527a_100000690088_100000210414 [0,1,0,0,0,1|2,0,0]=4 4794 B13R1.528 CCC(=O)NNc1ccccc1Br 22a_100000241748_100000210414 [0,1,0,0,0,1|1,0,0]=3 4795 B13R1.528 CCC(=O)NNc1ccccc1C 22a_100000184220_100000210414 [0,1,0,0,0,1|1,0,0]=3 4796 B13R1.528 CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210414 [0,1,0,0,0,1|1,0,0]=3 4797 B13R1.528 CCC(=O)NNc1ccccc1F 22a_100000239246_100000210414 [0,1,0,0,0,1|1,0,0]=3 4798 B13R1.528 CCC(=O)NNc1ccccc1I 22a_100011218156_100000210414 [0,1,0,0,0,1|1,0,0]=3 4799 B13R1.528 CCC(=O)NNc1cccnc1C 22a_100000730703_100000210414 [0,1,0,0,0,1|2,0,0]=4 4800 B13R1.528 CCC(=O)NNc1ccncc1Br 22a_100013404636_100000210414 [0,1,0,0,0,1|2,0,0]=4 4801 B13R1.528 CCC(=O)NNc1ccncc1C 22a_100011935204_100000210414 [0,1,0,0,0,1|2,0,0]=4 4802 B13R1.528 CCC(=O)NNc1ncccc1Br 22a_100011464834_100000210414 [0,1,0,0,0,1|2,0,0]=4 4803 B13R1.528 CCC(=O)NNc1ncccc1C 22a_100000708268_100000210414 [0,1,0,0,0,1|2,0,0]=4 4804 B13R1.528 CCC(=O)NNc1ncccc1Cl 22a_100000741667_100000210414 [0,1,0,0,0,1|2,0,0]=4 4805 B13R1.528 CCC(=O)NNc1ncccc1F 22a_100000717775_100000210414 [0,1,0,0,0,1|2,0,0]=4 4806 B13R1.528 CCC(=O)NNc1ncccc1I 22a_100010221029_100000210414 [0,1,0,0,0,1|2,0,0]=4 4807 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,1,0,0,0,1|1,0,1]=4 4808 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,1,0,0,0,1|1,0,1]=4 4809 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,1,0,0,0,1|1,0,1]=4 4810 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,1,0,0,0,1|0,0,2]=4 4811 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,1,0,0,0,1|1,0,1]=4 4812 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,1,0,0,0,1|2,0,0]=4 4813 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,1,0,0,0,1|2,0,0]=4 4814 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,1,0,0,0,1|2,0,0]=4 4815 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,1,0,0,0,1|2,0,0]=4 4816 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,1,0,0,0,1|2,0,0]=4 4817 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,1,0,0,0,1|2,0,0]=4 4818 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,1,0,0,0,1|2,0,0]=4 4819 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,1,0,0,0,1|2,0,0]=4 4820 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,1,0,0,0,1|2,0,0]=4 4821 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,1,0,0,0,1|2,0,0]=4 4822 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,1,0,0,0,1|2,0,0]=4 4823 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,1,0,0,0,1|2,0,0]=4 4824 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,1,0,0,0,1|2,0,0]=4 4825 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,1,0,0,0,1|2,0,0]=4 4826 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,1,0,0,0,1|2,0,0]=4 4827 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,1,0,0,0,1|2,0,0]=4 4828 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,1,0,0,0,1|2,0,0]=4 4829 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,1,0,0,0,1|2,0,0]=4 4830 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,1,0,0,0,1|2,0,0]=4 4831 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,1,0,0,0,1|2,0,0]=4 4832 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,1,0,0,0,1|2,0,0]=4 4833 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,1,0,0,0,1|2,0,0]=4 4834 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,1,0,0,0,1|2,0,0]=4 4835 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,1,0,0,0,1|2,0,0]=4 4836 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,1,0,0,0,1|2,0,0]=4 4837 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,1,0,0,0,1|2,0,0]=4 4838 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,1,0,0,0,1|2,0,0]=4 4839 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,1,0,0,0,1|2,0,0]=4 4840 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,1,0,0,0,1|2,0,0]=4 4841 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,1,0,0,0,1|2,0,0]=4 4842 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,1,0,0,0,1|1,0,0]=3 4843 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,1,0,0,0,1|1,0,0]=3 4844 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,1,0,0,0,1|1,0,0]=3 4845 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,1,0,0,0,1|1,0,0]=3 4846 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,1,0,0,0,1|1,0,0]=3 4847 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,1,0,0,0,1|1,0,0]=3 4848 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,1,0,0,0,1|1,0,0]=3 4849 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,1,0,0,0,1|1,0,0]=3 4850 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,1,0,0,0,1|0,0,0]=2 4851 B13R1.528 CNC(=O)CNc1ccncc1Br 27a_100000693194_100000726257 [0,1,0,0,0,1|2,0,0]=4 4852 B13R1.528 CNC(=O)CNc1ccncc1C 27a_100000693194_100000765111 [0,1,0,0,0,1|2,0,0]=4 4853 B13R1.528 CNC(=O)CNc1ccncc1F 27a_100000693194_100000035921 [0,1,0,0,0,1|2,0,0]=4 4854 B13R1.528 CNC(=O)CNc1ncccc1Br 27a_100000693194_100000696092 [0,1,0,0,0,1|2,0,0]=4 4855 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,1,0,0,0,1|2,0,0]=4 4856 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,1,0,0,0,1|2,0,0]=4 4857 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,1,0,0,0,1|2,0,0]=4 4858 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,1,0,0,0,1|2,0,0]=4 4859 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,1,0,0,0,1|2,0,0]=4 4860 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,1,0,0,0,1|2,0,0]=4 4861 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,1,0,0,0,1|2,0,0]=4 4862 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,1,0,0,0,1|2,0,0]=4 4863 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,1,0,0,0,1|2,0,0]=4 4864 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,1,0,0,0,1|2,0,0]=4 4865 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,1,0,0,0,1|2,0,0]=4 4866 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,1,0,0,0,1|2,0,0]=4 4867 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,1,0,0,0,1|2,0,0]=4 4868 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,1,0,0,0,1|2,0,0]=4 4869 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,1,0,0,0,1|2,0,0]=4 4870 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,1,0,0,0,1|2,0,0]=4 4871 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,1,0,0,0,1|2,0,0]=4 4872 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,1,0,0,0,1|2,0,0]=4 4873 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,1,0,0,0,1|2,0,0]=4 4874 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,1,0,0,0,1|2,0,0]=4 4875 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,1,0,0,0,1|2,0,0]=4 4876 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,1,0,0,0,1|2,0,0]=4 4877 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,1,0,0,0,1|2,0,0]=4 4878 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,1,0,0,0,1|2,0,0]=4 4879 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,1,0,0,0,1|2,0,0]=4 4880 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,1,0,0,0,1|2,0,0]=4 4881 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,1,0,0,0,1|2,0,0]=4 4882 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,1,0,0,0,1|2,0,0]=4 4883 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,1,0,0,0,1|1,0,0]=3 4884 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,1,0,0,0,1|1,0,0]=3 4885 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,1,0,0,0,1|1,0,0]=3 4886 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,1,0,0,0,1|2,0,0]=4 4887 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,1,0,0,0,1|2,0,0]=4 4888 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,1,0,0,0,1|2,0,0]=4 4889 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,1,0,0,0,1|2,0,0]=4 4890 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,1,0,0,0,1|2,0,0]=4 4891 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,1,0,0,0,1|2,0,0]=4 4892 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,1,0,0,0,1|2,0,0]=4 4893 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,1,0,0,0,1|2,0,0]=4 4894 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,1,0,0,0,1|2,0,0]=4 4895 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,1,0,0,0,1|2,0,0]=4 4896 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,1,0,0,0,1|2,0,0]=4 4897 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,1,0,0,0,1|2,0,0]=4 4898 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,1,0,0,0,1|2,0,0]=4 4899 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,1,0,0,0,1|2,0,0]=4 4900 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,1,0,0,0,1|2,0,0]=4 4901 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,1,0,0,0,1|2,0,0]=4 4902 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,1,0,0,0,1|2,0,0]=4 4903 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,1,0,0,0,1|1,0,0]=3 4904 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,1,0,0,0,1|1,0,0]=3 4905 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,1,0,0,0,1|1,0,0]=3 4906 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,1,0,0,0,1|1,0,0]=3 4907 B13R1.528 CNC(=O)CSc1cccnc1O 62a_100000183359_100000760158 [0,1,0,0,0,1|2,0,0]=4 4908 B13R1.528 CNC(=O)CSc1cccnc1O 62a_100000760158_100000183359 [0,1,0,0,0,1|2,0,0]=4 4909 B13R1.528 CNC(=O)CSc1ccncc1O 62a_100000183359_100009817591 [0,1,0,0,0,1|2,0,0]=4 4910 B13R1.528 CNC(=O)CSc1ccncc1O 62a_100009817591_100000183359 [0,1,0,0,0,1|2,0,0]=4 4911 B13R1.528 CNC(=O)CSc1ncccc1O 62a_100000034122_100000183359 [0,1,0,0,0,1|2,0,0]=4 4912 B13R1.528 CNC(=O)CSc1ncccc1O 62a_100000183359_100000034122 [0,1,0,0,0,1|2,0,0]=4 4913 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,1,0,0,0,1|1,0,0]=3 4914 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,1,0,0,0,1|1,0,0]=3 4915 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,1,0,0,0,1|1,0,0]=3 4916 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,1,0,0,0,1|1,0,0]=3 4917 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,1,0,0,0,1|1,0,0]=3 4918 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,1,0,0,0,1|1,0,0]=3 4919 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,1,0,0,0,1|1,0,0]=3 4920 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,1,0,0,0,1|1,0,0]=3 4921 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,1,0,0,0,1|1,0,0]=3 4922 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,1,0,0,0,1|1,0,0]=3 4923 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,1,0,0,0,1|1,0,0]=3 4924 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,1,0,0,0,1|1,0,0]=3 4925 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,1,0,0,0,1|1,0,0]=3 4926 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,1,0,0,0,1|1,0,0]=3 4927 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,1,0,0,0,1|1,0,0]=3 4928 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,1,0,0,0,1|1,0,0]=3 4929 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,1,0,0,0,1|1,0,0]=3 4930 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,1,0,0,0,1|1,0,0]=3 4931 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,1,0,0,0,1|1,0,0]=3 4932 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,1,0,0,0,1|1,0,0]=3 4933 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,1,0,0,0,1|1,0,0]=3 4934 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,1,0,0,0,1|1,0,0]=3 4935 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,1,0,0,0,1|1,0,0]=3 4936 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,1,0,0,0,1|1,0,0]=3 4937 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,1,0,0,0,1|1,0,0]=3 4938 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,1,0,0,0,1|1,0,0]=3 4939 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,1,0,0,0,1|1,0,0]=3 4940 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,1,0,0,0,1|1,0,0]=3 4941 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,1,0,0,0,1|1,0,0]=3 4942 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,1,0,0,0,1|0,0,0]=2 4943 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,1,0,0,0,1|0,0,0]=2 4944 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,1,0,0,0,1|0,0,0]=2 4945 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,1,0,0,0,1|0,0,0]=2 4946 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,1,0,0,0,1|0,0,0]=2 4947 B13R1.528 CNC(=O)NCc1cccnc1Br 2708a_100009818023_106832991635 [0,1,0,0,0,1|2,0,0]=4 4948 B13R1.528 CNC(=O)NCc1cccnc1Br 2708a_100102657272_100009818023 [0,1,0,0,0,1|2,0,0]=4 4949 B13R1.528 CNC(=O)NCc1cccnc1Br 273464a_100009818023_100102657272 [0,1,0,0,0,1|2,0,0]=4 4950 B13R1.528 CNC(=O)NCc1cccnc1Br 273464a_100102657272_100009818023 [0,1,0,0,0,1|2,0,0]=4 4951 B13R1.528 CNC(=O)NCc1cccnc1Br 512a_100009818023_100102657272 [0,1,0,0,0,1|2,0,0]=4 4952 B13R1.528 CNC(=O)NCc1cccnc1Br 512a_106832991638_100009818023 [0,1,0,0,0,1|2,0,0]=4 4953 B13R1.528 CNC(=O)NCc1cccnc1Cl 2708a_100015189234_106832991635 [0,1,0,0,0,1|2,0,0]=4 4954 B13R1.528 CNC(=O)NCc1cccnc1Cl 2708a_100102657272_100015189234 [0,1,0,0,0,1|2,0,0]=4 4955 B13R1.528 CNC(=O)NCc1cccnc1Cl 273464a_100015189234_100102657272 [0,1,0,0,0,1|2,0,0]=4 4956 B13R1.528 CNC(=O)NCc1cccnc1Cl 273464a_100102657272_100015189234 [0,1,0,0,0,1|2,0,0]=4 4957 B13R1.528 CNC(=O)NCc1cccnc1Cl 512a_100015189234_100102657272 [0,1,0,0,0,1|2,0,0]=4 4958 B13R1.528 CNC(=O)NCc1cccnc1Cl 512a_106832991638_100015189234 [0,1,0,0,0,1|2,0,0]=4 4959 B13R1.528 CNC(=O)NCc1cccnc1F 2708a_100000724633_106832991635 [0,1,0,0,0,1|2,0,0]=4 4960 B13R1.528 CNC(=O)NCc1cccnc1F 2708a_100102657272_100000724633 [0,1,0,0,0,1|2,0,0]=4 4961 B13R1.528 CNC(=O)NCc1cccnc1F 273464a_100000724633_100102657272 [0,1,0,0,0,1|2,0,0]=4 4962 B13R1.528 CNC(=O)NCc1cccnc1F 273464a_100102657272_100000724633 [0,1,0,0,0,1|2,0,0]=4 4963 B13R1.528 CNC(=O)NCc1cccnc1F 512a_100000724633_100102657272 [0,1,0,0,0,1|2,0,0]=4 4964 B13R1.528 CNC(=O)NCc1cccnc1F 512a_106832991638_100000724633 [0,1,0,0,0,1|2,0,0]=4 4965 B13R1.528 CNC(=O)NCc1ccncc1Br 2708a_100020640021_106832991635 [0,1,0,0,0,1|2,0,0]=4 4966 B13R1.528 CNC(=O)NCc1ccncc1Br 2708a_100102657272_100020640021 [0,1,0,0,0,1|2,0,0]=4 4967 B13R1.528 CNC(=O)NCc1ccncc1Br 273464a_100020640021_100102657272 [0,1,0,0,0,1|2,0,0]=4 4968 B13R1.528 CNC(=O)NCc1ccncc1Br 273464a_100102657272_100020640021 [0,1,0,0,0,1|2,0,0]=4 4969 B13R1.528 CNC(=O)NCc1ccncc1Br 512a_100020640021_100102657272 [0,1,0,0,0,1|2,0,0]=4 4970 B13R1.528 CNC(=O)NCc1ccncc1Br 512a_106832991638_100020640021 [0,1,0,0,0,1|2,0,0]=4 4971 B13R1.528 CNC(=O)NCc1ccncc1C 2708a_100000708811_106832991635 [0,1,0,0,0,1|2,0,0]=4 4972 B13R1.528 CNC(=O)NCc1ccncc1C 2708a_100102657272_100000708811 [0,1,0,0,0,1|2,0,0]=4 4973 B13R1.528 CNC(=O)NCc1ccncc1C 273464a_100000708811_100102657272 [0,1,0,0,0,1|2,0,0]=4 4974 B13R1.528 CNC(=O)NCc1ccncc1C 273464a_100102657272_100000708811 [0,1,0,0,0,1|2,0,0]=4 4975 B13R1.528 CNC(=O)NCc1ccncc1C 512a_100000708811_100102657272 [0,1,0,0,0,1|2,0,0]=4 4976 B13R1.528 CNC(=O)NCc1ccncc1C 512a_106832991638_100000708811 [0,1,0,0,0,1|2,0,0]=4 4977 B13R1.528 CNC(=O)NCc1ccncc1F 2708a_100011935246_106832991635 [0,1,0,0,0,1|2,0,0]=4 4978 B13R1.528 CNC(=O)NCc1ccncc1F 2708a_100102657272_100011935246 [0,1,0,0,0,1|2,0,0]=4 4979 B13R1.528 CNC(=O)NCc1ccncc1F 273464a_100011935246_100102657272 [0,1,0,0,0,1|2,0,0]=4 4980 B13R1.528 CNC(=O)NCc1ccncc1F 273464a_100102657272_100011935246 [0,1,0,0,0,1|2,0,0]=4 4981 B13R1.528 CNC(=O)NCc1ccncc1F 512a_100011935246_100102657272 [0,1,0,0,0,1|2,0,0]=4 4982 B13R1.528 CNC(=O)NCc1ccncc1F 512a_106832991638_100011935246 [0,1,0,0,0,1|2,0,0]=4 4983 B13R1.528 CNC(=O)NCc1cnccc1C 2708a_100011997553_106832991635 [0,1,0,0,0,1|2,0,0]=4 4984 B13R1.528 CNC(=O)NCc1cnccc1C 2708a_100102657272_100011997553 [0,1,0,0,0,1|2,0,0]=4 4985 B13R1.528 CNC(=O)NCc1cnccc1C 273464a_100011997553_100102657272 [0,1,0,0,0,1|2,0,0]=4 4986 B13R1.528 CNC(=O)NCc1cnccc1C 273464a_100102657272_100011997553 [0,1,0,0,0,1|2,0,0]=4 4987 B13R1.528 CNC(=O)NCc1cnccc1C 512a_100011997553_100102657272 [0,1,0,0,0,1|2,0,0]=4 4988 B13R1.528 CNC(=O)NCc1cnccc1C 512a_106832991638_100011997553 [0,1,0,0,0,1|2,0,0]=4 4989 B13R1.528 CNC(=O)NCc1ncccc1Br 2708a_100020591323_106832991635 [0,1,0,0,0,1|2,0,0]=4 4990 B13R1.528 CNC(=O)NCc1ncccc1Br 2708a_100102657272_100020591323 [0,1,0,0,0,1|2,0,0]=4 4991 B13R1.528 CNC(=O)NCc1ncccc1Br 273464a_100020591323_100102657272 [0,1,0,0,0,1|2,0,0]=4 4992 B13R1.528 CNC(=O)NCc1ncccc1Br 273464a_100102657272_100020591323 [0,1,0,0,0,1|2,0,0]=4 4993 B13R1.528 CNC(=O)NCc1ncccc1Br 512a_100020591323_100102657272 [0,1,0,0,0,1|2,0,0]=4 4994 B13R1.528 CNC(=O)NCc1ncccc1Br 512a_106832991638_100020591323 [0,1,0,0,0,1|2,0,0]=4 4995 B13R1.528 CNC(=O)NCc1ncccc1C 2708a_100011223789_106832991635 [0,1,0,0,0,1|2,0,0]=4 4996 B13R1.528 CNC(=O)NCc1ncccc1C 2708a_100102657272_100011223789 [0,1,0,0,0,1|2,0,0]=4 4997 B13R1.528 CNC(=O)NCc1ncccc1C 273464a_100011223789_100102657272 [0,1,0,0,0,1|2,0,0]=4 4998 B13R1.528 CNC(=O)NCc1ncccc1C 273464a_100102657272_100011223789 [0,1,0,0,0,1|2,0,0]=4 4999 B13R1.528 CNC(=O)NCc1ncccc1C 512a_100011223789_100102657272 [0,1,0,0,0,1|2,0,0]=4 5000 B13R1.528 CNC(=O)NCc1ncccc1C 512a_106832991638_100011223789 [0,1,0,0,0,1|2,0,0]=4 5001 B13R1.528 CNC(=O)NCc1ncccc1Cl 2708a_100015189233_106832991635 [0,1,0,0,0,1|2,0,0]=4 5002 B13R1.528 CNC(=O)NCc1ncccc1Cl 2708a_100102657272_100015189233 [0,1,0,0,0,1|2,0,0]=4 5003 B13R1.528 CNC(=O)NCc1ncccc1Cl 273464a_100015189233_100102657272 [0,1,0,0,0,1|2,0,0]=4 5004 B13R1.528 CNC(=O)NCc1ncccc1Cl 273464a_100102657272_100015189233 [0,1,0,0,0,1|2,0,0]=4 5005 B13R1.528 CNC(=O)NCc1ncccc1Cl 512a_100015189233_100102657272 [0,1,0,0,0,1|2,0,0]=4 5006 B13R1.528 CNC(=O)NCc1ncccc1Cl 512a_106832991638_100015189233 [0,1,0,0,0,1|2,0,0]=4 5007 B13R1.528 CNC(=O)NCc1ncccc1F 2708a_100000690088_106832991635 [0,1,0,0,0,1|2,0,0]=4 5008 B13R1.528 CNC(=O)NCc1ncccc1F 2708a_100102657272_100000690088 [0,1,0,0,0,1|2,0,0]=4 5009 B13R1.528 CNC(=O)NCc1ncccc1F 273464a_100000690088_100102657272 [0,1,0,0,0,1|2,0,0]=4 5010 B13R1.528 CNC(=O)NCc1ncccc1F 273464a_100102657272_100000690088 [0,1,0,0,0,1|2,0,0]=4 5011 B13R1.528 CNC(=O)NCc1ncccc1F 512a_100000690088_100102657272 [0,1,0,0,0,1|2,0,0]=4 5012 B13R1.528 CNC(=O)NCc1ncccc1F 512a_106832991638_100000690088 [0,1,0,0,0,1|2,0,0]=4 5013 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,1,0,0,0,1|1,0,0]=3 5014 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,1,0,0,0,1|1,0,0]=3 5015 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,1,0,0,0,1|1,0,0]=3 5016 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,1,0,0,0,1|1,0,0]=3 5017 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,1,0,0,0,1|1,0,0]=3 5018 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,1,0,0,0,1|1,0,0]=3 5019 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,1,0,0,0,1|1,0,0]=3 5020 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,1,0,0,0,1|1,0,0]=3 5021 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,1,0,0,0,1|1,0,0]=3 5022 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,1,0,0,0,1|1,0,0]=3 5023 B13R1.528 CNC(=O)NNc1cccnc1C 273464a_100102657272_100000730703 [0,1,0,0,0,1|2,0,0]=4 5024 B13R1.528 CNC(=O)NNc1cccnc1C 512a_106832991638_100000730703 [0,1,0,0,0,1|2,0,0]=4 5025 B13R1.528 CNC(=O)NNc1ccncc1Br 273464a_100102657272_100013404636 [0,1,0,0,0,1|2,0,0]=4 5026 B13R1.528 CNC(=O)NNc1ccncc1Br 512a_106832991638_100013404636 [0,1,0,0,0,1|2,0,0]=4 5027 B13R1.528 CNC(=O)NNc1ccncc1C 273464a_100102657272_100011935204 [0,1,0,0,0,1|2,0,0]=4 5028 B13R1.528 CNC(=O)NNc1ccncc1C 512a_106832991638_100011935204 [0,1,0,0,0,1|2,0,0]=4 5029 B13R1.528 CNC(=O)NNc1ncccc1Br 273464a_100102657272_100011464834 [0,1,0,0,0,1|2,0,0]=4 5030 B13R1.528 CNC(=O)NNc1ncccc1Br 512a_106832991638_100011464834 [0,1,0,0,0,1|2,0,0]=4 5031 B13R1.528 CNC(=O)NNc1ncccc1C 273464a_100102657272_100000708268 [0,1,0,0,0,1|2,0,0]=4 5032 B13R1.528 CNC(=O)NNc1ncccc1C 512a_106832991638_100000708268 [0,1,0,0,0,1|2,0,0]=4 5033 B13R1.528 CNC(=O)NNc1ncccc1Cl 273464a_100102657272_100000741667 [0,1,0,0,0,1|2,0,0]=4 5034 B13R1.528 CNC(=O)NNc1ncccc1Cl 512a_106832991638_100000741667 [0,1,0,0,0,1|2,0,0]=4 5035 B13R1.528 CNC(=O)NNc1ncccc1F 273464a_100102657272_100000717775 [0,1,0,0,0,1|2,0,0]=4 5036 B13R1.528 CNC(=O)NNc1ncccc1F 512a_106832991638_100000717775 [0,1,0,0,0,1|2,0,0]=4 5037 B13R1.528 CNC(=O)NNc1ncccc1I 273464a_100102657272_100010221029 [0,1,0,0,0,1|2,0,0]=4 5038 B13R1.528 CNC(=O)NNc1ncccc1I 512a_106832991638_100010221029 [0,1,0,0,0,1|2,0,0]=4 5039 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,0,0,0,1|1,0,0]=3 5040 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,1,0,0,0,1|1,0,0]=3 5041 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,1,0,0,0,1|1,0,0]=3 5042 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,1,0,0,0,1|1,0,0]=3 5043 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,1,0,0,0,1|1,0,0]=3 5044 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,1,0,0,0,1|1,0,0]=3 5045 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,1,0,0,0,1|1,0,0]=3 5046 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,1,0,0,0,1|0,0,0]=2 5047 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,1,0,0,0,1|2,0,0]=4 5048 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,1,0,0,0,1|2,0,0]=4 5049 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,1,0,0,0,1|2,0,0]=4 5050 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,1,0,0,0,1|2,0,0]=4 5051 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,1,0,0,0,1|2,0,0]=4 5052 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,1,0,0,0,1|2,0,0]=4 5053 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,1,0,0,0,1|2,0,0]=4 5054 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,1,0,0,0,1|2,0,0]=4 5055 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,1,0,0,0,1|2,0,0]=4 5056 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,1,0,0,0,1|2,0,0]=4 5057 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,1,0,0,0,1|2,0,0]=4 5058 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,1,0,0,0,1|2,0,0]=4 5059 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,1,0,0,0,1|1,0,0]=3 5060 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,1,0,0,0,1|2,0,0]=4 5061 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,1,0,0,0,1|2,0,0]=4 5062 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,1,0,0,0,1|2,0,0]=4 5063 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,1,0,0,0,1|2,0,0]=4 5064 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,1,0,0,0,1|2,0,0]=4 5065 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,1,0,0,0,1|2,0,0]=4 5066 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,1,0,0,0,1|2,0,0]=4 5067 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,1,0,0,0,1|2,0,0]=4 5068 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,1,0,0,0,1|2,0,0]=4 5069 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,1,0,0,0,1|2,0,0]=4 5070 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,1,0,0,0,1|1,0,0]=3 5071 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,1,0,0,0,1|1,0,0]=3 5072 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000747449_100000760158 [0,1,0,0,0,1|2,0,0]=4 5073 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000760158_100000747449 [0,1,0,0,0,1|2,0,0]=4 5074 B13R1.528 COC(=O)CSc1ccncc1O 62a_100000747449_100009817591 [0,1,0,0,0,1|2,0,0]=4 5075 B13R1.528 COC(=O)CSc1ccncc1O 62a_100009817591_100000747449 [0,1,0,0,0,1|2,0,0]=4 5076 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000034122_100000747449 [0,1,0,0,0,1|2,0,0]=4 5077 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000747449_100000034122 [0,1,0,0,0,1|2,0,0]=4 5078 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,1,0,0,0,1|0,0,2]=4 5079 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [0,1,0,0,0,1|2,0,0]=4 5080 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,1,0,0,0,1|2,0,0]=4 5081 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,1,0,0,0,1|1,0,0]=3 5082 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,1,0,0,0,1|1,0,0]=3 5083 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,1,0,0,0,1|1,0,0]=3 5084 B13R1.528 Cc1ccccc1OCC(=O)CF 1458a_100000182418_100015361967 [0,1,0,0,0,1|2,0,0]=4 5085 B13R1.528 Cc1ccccc1SCC(=O)CF 1458a_100000183026_100015361967 [0,1,0,0,0,1|2,0,0]=4 5086 B13R1.528 Cc1cccnc1CNC(=O)CO 240690a_100011223789_100000210174 [0,1,0,0,0,1|2,0,0]=4 5087 B13R1.528 Cc1cccnc1CNC(=O)CO 527a_100011223789_100000210174 [0,1,0,0,0,1|2,0,0]=4 5088 B13R1.528 Cc1cccnc1NNC(=O)CO 22a_100000708268_100000210174 [0,1,0,0,0,1|2,0,0]=4 5089 B13R1.528 Cc1ccncc1CNC(=O)CO 240690a_100011997553_100000210174 [0,1,0,0,0,1|2,0,0]=4 5090 B13R1.528 Cc1ccncc1CNC(=O)CO 527a_100011997553_100000210174 [0,1,0,0,0,1|2,0,0]=4 5091 B13R1.528 Cc1cnccc1CNC(=O)CO 240690a_100000708811_100000210174 [0,1,0,0,0,1|2,0,0]=4 5092 B13R1.528 Cc1cnccc1CNC(=O)CO 527a_100000708811_100000210174 [0,1,0,0,0,1|2,0,0]=4 5093 B13R1.528 Cc1cnccc1NNC(=O)CO 22a_100011935204_100000210174 [0,1,0,0,0,1|2,0,0]=4 5094 B13R1.528 Cc1ncccc1NNC(=O)CO 22a_100000730703_100000210174 [0,1,0,0,0,1|2,0,0]=4 5095 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [0,1,0,0,0,1|2,0,0]=4 5096 B13R1.528 O=C(C#Cc1ccccc1F)CF 1458a_100011892747_100015361967 [0,1,0,0,0,1|2,0,0]=4 5097 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [0,1,0,0,0,1|2,0,0]=4 5098 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [0,1,0,0,0,1|2,0,0]=4 5099 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [0,1,0,0,0,1|2,0,0]=4 5100 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,1,0,0,0,1|1,0,0]=3 5101 B13R1.528 O=C(CF)CCc1ccccc1Br 1458a_100000740810_100015361967 [0,1,0,0,0,1|2,0,0]=4 5102 B13R1.528 O=C(CF)CCc1ccccc1Cl 1458a_100000184300_100015361967 [0,1,0,0,0,1|2,0,0]=4 5103 B13R1.528 O=C(CF)CCc1ccccc1F 1458a_100000189703_100015361967 [0,1,0,0,0,1|2,0,0]=4 5104 B13R1.528 O=C(CF)CCc1ccccc1I 1458a_100000037306_100015361967 [0,1,0,0,0,1|2,0,0]=4 5105 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,1,0,0,0,1|1,0,0]=3 5106 B13R1.528 O=C(CF)COc1ccccc1Br 1458a_100000216496_100015361967 [0,1,0,0,0,1|2,0,0]=4 5107 B13R1.528 O=C(CF)COc1ccccc1Cl 1458a_100000185159_100015361967 [0,1,0,0,0,1|2,0,0]=4 5108 B13R1.528 O=C(CF)COc1ccccc1F 1458a_100000182486_100015361967 [0,1,0,0,0,1|2,0,0]=4 5109 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [0,1,0,0,0,1|1,0,0]=3 5110 B13R1.528 O=C(CF)CSc1ccccc1F 1458a_100000179528_100015361967 [0,1,0,0,0,1|2,0,0]=4 5111 B13R1.528 O=C(CF)CSc1ccccc1O 1458a_100000695322_100015361967 [0,1,0,0,0,1|1,0,0]=3 5112 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,1,0,0,0,1|2,0,0]=4 5113 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,1,0,0,0,1|2,0,0]=4 5114 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,1,0,0,0,1|2,0,0]=4 5115 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,1,0,0,0,1|1,0,0]=3 5116 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,1,0,0,0,1|1,0,0]=3 5117 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,1,0,0,0,1|1,0,0]=3 5118 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,1,0,0,0,1|1,0,0]=3 5119 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,1,0,0,0,1|1,0,0]=3 5120 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,1,0,0,0,1|1,0,0]=3 5121 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,1,0,0,0,1|1,0,0]=3 5122 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,1,0,0,0,1|1,0,0]=3 5123 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,1,0,0,0,1|1,0,0]=3 5124 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,1,0,0,0,1|0,0,0]=2 5125 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,1,0,0,0,1|0,0,0]=2 5126 B13R1.528 O=C(CO)NCc1cccnc1Br 240690a_100009818023_100000210174 [0,1,0,0,0,1|2,0,0]=4 5127 B13R1.528 O=C(CO)NCc1cccnc1Br 527a_100009818023_100000210174 [0,1,0,0,0,1|2,0,0]=4 5128 B13R1.528 O=C(CO)NCc1cccnc1Cl 240690a_100015189234_100000210174 [0,1,0,0,0,1|2,0,0]=4 5129 B13R1.528 O=C(CO)NCc1cccnc1Cl 527a_100015189234_100000210174 [0,1,0,0,0,1|2,0,0]=4 5130 B13R1.528 O=C(CO)NCc1cccnc1F 240690a_100000724633_100000210174 [0,1,0,0,0,1|2,0,0]=4 5131 B13R1.528 O=C(CO)NCc1cccnc1F 527a_100000724633_100000210174 [0,1,0,0,0,1|2,0,0]=4 5132 B13R1.528 O=C(CO)NCc1ccncc1Br 240690a_100020640021_100000210174 [0,1,0,0,0,1|2,0,0]=4 5133 B13R1.528 O=C(CO)NCc1ccncc1Br 527a_100020640021_100000210174 [0,1,0,0,0,1|2,0,0]=4 5134 B13R1.528 O=C(CO)NCc1ccncc1F 240690a_100011935246_100000210174 [0,1,0,0,0,1|2,0,0]=4 5135 B13R1.528 O=C(CO)NCc1ccncc1F 527a_100011935246_100000210174 [0,1,0,0,0,1|2,0,0]=4 5136 B13R1.528 O=C(CO)NCc1ncccc1Br 240690a_100020591323_100000210174 [0,1,0,0,0,1|2,0,0]=4 5137 B13R1.528 O=C(CO)NCc1ncccc1Br 527a_100020591323_100000210174 [0,1,0,0,0,1|2,0,0]=4 5138 B13R1.528 O=C(CO)NCc1ncccc1Cl 240690a_100015189233_100000210174 [0,1,0,0,0,1|2,0,0]=4 5139 B13R1.528 O=C(CO)NCc1ncccc1Cl 527a_100015189233_100000210174 [0,1,0,0,0,1|2,0,0]=4 5140 B13R1.528 O=C(CO)NCc1ncccc1F 240690a_100000690088_100000210174 [0,1,0,0,0,1|2,0,0]=4 5141 B13R1.528 O=C(CO)NCc1ncccc1F 527a_100000690088_100000210174 [0,1,0,0,0,1|2,0,0]=4 5142 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,1,0,0,0,1|1,0,0]=3 5143 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,1,0,0,0,1|1,0,0]=3 5144 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,1,0,0,0,1|1,0,0]=3 5145 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,1,0,0,0,1|1,0,0]=3 5146 B13R1.528 O=C(CO)NNc1ccncc1Br 22a_100013404636_100000210174 [0,1,0,0,0,1|2,0,0]=4 5147 B13R1.528 O=C(CO)NNc1ncccc1Br 22a_100011464834_100000210174 [0,1,0,0,0,1|2,0,0]=4 5148 B13R1.528 O=C(CO)NNc1ncccc1Cl 22a_100000741667_100000210174 [0,1,0,0,0,1|2,0,0]=4 5149 B13R1.528 O=C(CO)NNc1ncccc1F 22a_100000717775_100000210174 [0,1,0,0,0,1|2,0,0]=4 5150 B13R1.528 O=C(CO)NNc1ncccc1I 22a_100010221029_100000210174 [0,1,0,0,0,1|2,0,0]=4 5151 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [0,1,0,0,0,1|0,0,2]=4 5152 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [0,1,0,0,0,1|0,0,2]=4 5153 B13R1.528 Oc1ccccc1NC[C@@H](O)CF 34a_100000185747_100015614560 [0,1,0,0,0,1|0,0,2]=4 5154 B13R1.893 C=C(C)CNc1cc(ccc1Br)Br 34a_100000737762_100000748629 [0,1,0,0,0,1|2,0,0]=4 5155 B13R1.893 C=C(C)CNc1cc(ccc1Br)C 34a_100000745044_100000748629 [0,1,0,0,0,1|2,0,0]=4 5156 B13R1.893 C=C(C)CNc1cc(ccc1Br)Cl 34a_100000687073_100000748629 [0,1,0,0,0,1|2,0,0]=4 5157 B13R1.893 C=C(C)CNc1cc(ccc1Br)F 34a_100000687223_100000748629 [0,1,0,0,0,1|2,0,0]=4 5158 B13R1.893 C=C(C)CNc1cc(ccc1Br)O 34a_100011999798_100000748629 [0,1,0,0,0,1|2,0,0]=4 5159 B13R1.893 C=C(C)CNc1cc(ccc1C)Br 34a_100000741167_100000748629 [0,1,0,0,0,1|2,0,0]=4 5160 B13R1.893 C=C(C)CNc1cc(ccc1C)Br 7a_100000741167_100000748629 [0,1,0,0,0,1|2,0,0]=4 5161 B13R1.893 C=C(C)CNc1cc(ccc1C)C 2230a_100000185781_100000748629 [0,1,0,0,0,1|2,0,0]=4 5162 B13R1.893 C=C(C)CNc1cc(ccc1C)C 34a_100000185781_100000748629 [0,1,0,0,0,1|2,0,0]=4 5163 B13R1.893 C=C(C)CNc1cc(ccc1C)C 7a_100000185781_100000748629 [0,1,0,0,0,1|2,0,0]=4 5164 B13R1.893 C=C(C)CNc1cc(ccc1C)Cl 34a_100000211374_100000748629 [0,1,0,0,0,1|2,0,0]=4 5165 B13R1.893 C=C(C)CNc1cc(ccc1C)Cl 7a_100000211374_100000748629 [0,1,0,0,0,1|2,0,0]=4 5166 B13R1.893 C=C(C)CNc1cc(ccc1C)F 34a_100000211107_100000748629 [0,1,0,0,0,1|2,0,0]=4 5167 B13R1.893 C=C(C)CNc1cc(ccc1C)F 7a_100000211107_100000748629 [0,1,0,0,0,1|2,0,0]=4 5168 B13R1.893 C=C(C)CNc1cc(ccc1C)I 7a_100000761890_100000748629 [0,1,0,0,0,1|2,0,0]=4 5169 B13R1.893 C=C(C)CNc1cc(ccc1C)O 34a_100011216113_100000748629 [0,1,0,0,0,1|2,0,0]=4 5170 B13R1.893 C=C(C)CNc1cc(ccc1Cl)Br 34a_100000750497_100000748629 [0,1,0,0,0,1|2,0,0]=4 5171 B13R1.893 C=C(C)CNc1cc(ccc1Cl)C 34a_100011215360_100000748629 [0,1,0,0,0,1|2,0,0]=4 5172 B13R1.893 C=C(C)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000748629 [0,1,0,0,0,1|2,0,0]=4 5173 B13R1.893 C=C(C)CNc1cc(ccc1Cl)F 34a_100000751338_100000748629 [0,1,0,0,0,1|2,0,0]=4 5174 B13R1.893 C=C(C)CNc1cc(ccc1Cl)I 34a_200000761891_100000748629 [0,1,0,0,0,1|2,0,0]=4 5175 B13R1.893 C=C(C)CNc1cc(ccc1Cl)O 34a_100011934297_100000748629 [0,1,0,0,0,1|2,0,0]=4 5176 B13R1.893 C=C(C)CNc1cc(ccc1F)Br 34a_100000740924_100000748629 [0,1,0,0,0,1|2,0,0]=4 5177 B13R1.893 C=C(C)CNc1cc(ccc1F)C 34a_100000211285_100000748629 [0,1,0,0,0,1|2,0,0]=4 5178 B13R1.893 C=C(C)CNc1cc(ccc1F)Cl 34a_100000212115_100000748629 [0,1,0,0,0,1|2,0,0]=4 5179 B13R1.893 C=C(C)CNc1cc(ccc1F)F 34a_100000210742_100000748629 [0,1,0,0,0,1|2,0,0]=4 5180 B13R1.893 C=C(C)CNc1cc(ccc1F)I 34a_100011464823_100000748629 [0,1,0,0,0,1|2,0,0]=4 5181 B13R1.893 C=C(C)CNc1cc(ccc1F)O 34a_100012017239_100000748629 [0,1,0,0,0,1|2,0,0]=4 5182 B13R1.893 C=C(C)CNc1cc(ccc1I)Br 34a_100000743836_100000748629 [0,1,0,0,0,1|2,0,0]=4 5183 B13R1.893 C=C(C)CNc1cc(ccc1I)C 34a_100011216686_100000748629 [0,1,0,0,0,1|2,0,0]=4 5184 B13R1.893 C=C(C)CNc1cc(ccc1I)Cl 34a_100000761886_100000748629 [0,1,0,0,0,1|2,0,0]=4 5185 B13R1.893 C=C(C)CNc1cc(ccc1I)F 34a_100011218093_100000748629 [0,1,0,0,0,1|2,0,0]=4 5186 B13R1.893 C=C(C)CNc1cc(ccc1O)Br 34a_100000752626_100000748629 [0,1,0,0,0,1|1,0,0]=3 5187 B13R1.893 C=C(C)CNc1cc(ccc1O)C 34a_100011215204_100000748629 [0,1,0,0,0,1|1,0,0]=3 5188 B13R1.893 C=C(C)CNc1cc(ccc1O)Cl 34a_100000210500_100000748629 [0,1,0,0,0,1|1,0,0]=3 5189 B13R1.893 C=C(C)CNc1cc(ccc1O)F 34a_100000759472_100000748629 [0,1,0,0,0,1|1,0,0]=3 5190 B13R1.893 C=C(C)CSc1cc(ccc1O)Br 62a_100000748629_100012355227 [0,1,0,0,0,1|2,0,0]=4 5191 B13R1.893 C=C(C)CSc1cc(ccc1O)Br 62a_100012355227_100000211660 [0,1,0,0,0,1|2,0,0]=4 5192 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000748629_100000765521 [0,1,0,0,0,1|2,0,0]=4 5193 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000765521_100000211660 [0,1,0,0,0,1|2,0,0]=4 5194 B13R1.893 C=C(C)CSc1cc(ccc1O)Cl 62a_100000748629_100011356953 [0,1,0,0,0,1|2,0,0]=4 5195 B13R1.893 C=C(C)CSc1cc(ccc1O)Cl 62a_100011356953_100000211660 [0,1,0,0,0,1|2,0,0]=4 5196 B13R1.893 C=C(C)CSc1cc(ccc1O)F 62a_100000211999_100000211660 [0,1,0,0,0,1|2,0,0]=4 5197 B13R1.893 C=C(C)CSc1cc(ccc1O)F 62a_100000748629_100000211999 [0,1,0,0,0,1|2,0,0]=4 5198 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100000748629_100011534360 [0,1,0,0,0,1|2,0,0]=4 5199 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100011534360_100000211660 [0,1,0,0,0,1|2,0,0]=4 5200 B13R1.893 C=C(C)CSc1cc(ccc1O)O 62a_100000748629_100009813629 [0,1,0,0,0,1|2,0,0]=4 5201 B13R1.893 C=C(F)CNc1cc(ccc1O)Br 34a_100000752626_100009893438 [0,1,0,0,0,1|1,0,1]=4 5202 B13R1.893 C=C(F)CNc1cc(ccc1O)C 34a_100011215204_100009893438 [0,1,0,0,0,1|1,0,1]=4 5203 B13R1.893 C=C(F)CNc1cc(ccc1O)Cl 34a_100000210500_100009893438 [0,1,0,0,0,1|1,0,1]=4 5204 B13R1.893 C=C(F)CNc1cc(ccc1O)F 34a_100000759472_100009893438 [0,1,0,0,0,1|1,0,1]=4 5205 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [0,1,0,0,0,1|2,0,0]=4 5206 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [0,1,0,0,0,1|2,0,0]=4 5207 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [0,1,0,0,0,1|2,0,0]=4 5208 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [0,1,0,0,0,1|2,0,0]=4 5209 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [0,1,0,0,0,1|2,0,0]=4 5210 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [0,1,0,0,0,1|2,0,0]=4 5211 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,1,0,0,0,1|2,0,0]=4 5212 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [0,1,0,0,0,1|2,0,0]=4 5213 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [0,1,0,0,0,1|2,0,0]=4 5214 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [0,1,0,0,0,1|2,0,0]=4 5215 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [0,1,0,0,0,1|2,0,0]=4 5216 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [0,1,0,0,0,1|2,0,0]=4 5217 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [0,1,0,0,0,1|2,0,0]=4 5218 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [0,1,0,0,0,1|2,0,0]=4 5219 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [0,1,0,0,0,1|2,0,0]=4 5220 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [0,1,0,0,0,1|2,0,0]=4 5221 B13R1.893 CC(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200000210301 [0,1,0,0,0,1|2,0,0]=4 5222 B13R1.893 CC(=O)COc1cc(ccc1C)C 1458a_100000182428_200000210301 [0,1,0,0,0,1|2,0,0]=4 5223 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [0,1,0,0,0,1|2,0,0]=4 5224 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [0,1,0,0,0,1|2,0,0]=4 5225 B13R1.893 CC(=O)COc1cc(ccc1F)F 1458a_100000752474_200000210301 [0,1,0,0,0,1|2,0,0]=4 5226 B13R1.893 CC(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200000210301 [0,1,0,0,0,1|2,0,0]=4 5227 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 11a_100000707832_100015343762 [0,1,0,0,0,1|1,0,0]=3 5228 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 1626a_100000707832_100015343762 [0,1,0,0,0,1|1,0,0]=3 5229 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 240690a_100000707832_100015343762 [0,1,0,0,0,1|1,0,0]=3 5230 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 527a_100000707832_100103153847 [0,1,0,0,0,1|1,0,0]=3 5231 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 11a_100000742738_100015343762 [0,1,0,0,0,1|1,0,0]=3 5232 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 1626a_100000742738_100015343762 [0,1,0,0,0,1|1,0,0]=3 5233 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 240690a_100000742738_100015343762 [0,1,0,0,0,1|1,0,0]=3 5234 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 527a_100000742738_100103153847 [0,1,0,0,0,1|1,0,0]=3 5235 B13R1.893 CC(=O)NCc1cc(ccc1C)C 11a_100000174964_100015343762 [0,1,0,0,0,1|1,0,0]=3 5236 B13R1.893 CC(=O)NCc1cc(ccc1C)C 1626a_100000174964_100015343762 [0,1,0,0,0,1|1,0,0]=3 5237 B13R1.893 CC(=O)NCc1cc(ccc1C)C 240690a_100000174964_100015343762 [0,1,0,0,0,1|1,0,0]=3 5238 B13R1.893 CC(=O)NCc1cc(ccc1C)C 527a_100000174964_100103153847 [0,1,0,0,0,1|1,0,0]=3 5239 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 11a_100000717755_100015343762 [0,1,0,0,0,1|1,0,0]=3 5240 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 1626a_100000717755_100015343762 [0,1,0,0,0,1|1,0,0]=3 5241 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 240690a_100000717755_100015343762 [0,1,0,0,0,1|1,0,0]=3 5242 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 527a_100000717755_100103153847 [0,1,0,0,0,1|1,0,0]=3 5243 B13R1.893 CC(=O)NCc1cc(ccc1C)F 11a_100011217291_100015343762 [0,1,0,0,0,1|1,0,0]=3 5244 B13R1.893 CC(=O)NCc1cc(ccc1C)F 1626a_100011217291_100015343762 [0,1,0,0,0,1|1,0,0]=3 5245 B13R1.893 CC(=O)NCc1cc(ccc1C)F 240690a_100011217291_100015343762 [0,1,0,0,0,1|1,0,0]=3 5246 B13R1.893 CC(=O)NCc1cc(ccc1C)F 527a_100011217291_100103153847 [0,1,0,0,0,1|1,0,0]=3 5247 B13R1.893 CC(=O)NCc1cc(ccc1C)O 240690a_200009844824_100015343762 [0,1,0,0,0,1|1,0,0]=3 5248 B13R1.893 CC(=O)NCc1cc(ccc1C)O 527a_200009844824_100103153847 [0,1,0,0,0,1|1,0,0]=3 5249 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 11a_100025772652_100015343762 [0,1,0,0,0,1|1,0,0]=3 5250 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 1626a_100025772652_100015343762 [0,1,0,0,0,1|1,0,0]=3 5251 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 240690a_100025772652_100015343762 [0,1,0,0,0,1|1,0,0]=3 5252 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 527a_100025772652_100103153847 [0,1,0,0,0,1|1,0,0]=3 5253 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 11a_100025705715_100015343762 [0,1,0,0,0,1|1,0,0]=3 5254 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 1626a_100025705715_100015343762 [0,1,0,0,0,1|1,0,0]=3 5255 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 240690a_100025705715_100015343762 [0,1,0,0,0,1|1,0,0]=3 5256 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 527a_100025705715_100103153847 [0,1,0,0,0,1|1,0,0]=3 5257 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 11a_100102946428_100015343762 [0,1,0,0,0,1|1,0,0]=3 5258 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 1626a_100102946428_100015343762 [0,1,0,0,0,1|1,0,0]=3 5259 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 240690a_100102946428_100015343762 [0,1,0,0,0,1|1,0,0]=3 5260 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 527a_100102946428_100103153847 [0,1,0,0,0,1|1,0,0]=3 5261 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 11a_100011830483_100015343762 [0,1,0,0,0,1|1,0,0]=3 5262 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 1626a_100011830483_100015343762 [0,1,0,0,0,1|1,0,0]=3 5263 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 240690a_100011830483_100015343762 [0,1,0,0,0,1|1,0,0]=3 5264 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 527a_100011830483_100103153847 [0,1,0,0,0,1|1,0,0]=3 5265 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 11a_100009815772_100015343762 [0,1,0,0,0,1|1,0,0]=3 5266 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 1626a_100009815772_100015343762 [0,1,0,0,0,1|1,0,0]=3 5267 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 240690a_100009815772_100015343762 [0,1,0,0,0,1|1,0,0]=3 5268 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 527a_100009815772_100103153847 [0,1,0,0,0,1|1,0,0]=3 5269 B13R1.893 CC(=O)NCc1cc(ccc1F)C 11a_100102693586_100015343762 [0,1,0,0,0,1|1,0,0]=3 5270 B13R1.893 CC(=O)NCc1cc(ccc1F)C 1626a_100102693586_100015343762 [0,1,0,0,0,1|1,0,0]=3 5271 B13R1.893 CC(=O)NCc1cc(ccc1F)C 240690a_100102693586_100015343762 [0,1,0,0,0,1|1,0,0]=3 5272 B13R1.893 CC(=O)NCc1cc(ccc1F)C 527a_100102693586_100103153847 [0,1,0,0,0,1|1,0,0]=3 5273 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 11a_100011211646_100015343762 [0,1,0,0,0,1|1,0,0]=3 5274 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 1626a_100011211646_100015343762 [0,1,0,0,0,1|1,0,0]=3 5275 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 240690a_100011211646_100015343762 [0,1,0,0,0,1|1,0,0]=3 5276 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 527a_100011211646_100103153847 [0,1,0,0,0,1|1,0,0]=3 5277 B13R1.893 CC(=O)NCc1cc(ccc1F)F 11a_100000752317_100015343762 [0,1,0,0,0,1|1,0,0]=3 5278 B13R1.893 CC(=O)NCc1cc(ccc1F)F 1626a_100000752317_100015343762 [0,1,0,0,0,1|1,0,0]=3 5279 B13R1.893 CC(=O)NCc1cc(ccc1F)F 240690a_100000752317_100015343762 [0,1,0,0,0,1|1,0,0]=3 5280 B13R1.893 CC(=O)NCc1cc(ccc1F)F 527a_100000752317_100103153847 [0,1,0,0,0,1|1,0,0]=3 5281 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100015343762 [0,1,0,0,0,1|0,0,0]=2 5282 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100103153847 [0,1,0,0,0,1|0,0,0]=2 5283 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100015343762 [0,1,0,0,0,1|0,0,0]=2 5284 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100103153847 [0,1,0,0,0,1|0,0,0]=2 5285 B13R1.893 CC(=O)NCc1cc(cnc1Br)F 11a_100010760786_100015343762 [0,1,0,0,0,1|2,0,0]=4 5286 B13R1.893 CC(=O)NCc1cc(cnc1Br)F 1626a_100010760786_100015343762 [0,1,0,0,0,1|2,0,0]=4 5287 B13R1.893 CC(=O)NCc1cc(cnc1Br)F 240690a_100010760786_100015343762 [0,1,0,0,0,1|2,0,0]=4 5288 B13R1.893 CC(=O)NCc1cc(cnc1Br)F 527a_100010760786_100103153847 [0,1,0,0,0,1|2,0,0]=4 5289 B13R1.893 CC(=O)NCc1nc(ccc1F)Cl 11a_100009887702_100015343762 [0,1,0,0,0,1|2,0,0]=4 5290 B13R1.893 CC(=O)NCc1nc(ccc1F)Cl 1626a_100009887702_100015343762 [0,1,0,0,0,1|2,0,0]=4 5291 B13R1.893 CC(=O)NCc1nc(ccc1F)Cl 240690a_100009887702_100015343762 [0,1,0,0,0,1|2,0,0]=4 5292 B13R1.893 CC(=O)NCc1nc(ccc1F)Cl 527a_100009887702_100103153847 [0,1,0,0,0,1|2,0,0]=4 5293 B13R1.893 CC(=O)NNc1cc(ccc1Br)Br 22a_200011483129_100000070787 [0,1,0,0,0,1|1,0,0]=3 5294 B13R1.893 CC(=O)NNc1cc(ccc1Br)F 22a_100012362518_100000070787 [0,1,0,0,0,1|1,0,0]=3 5295 B13R1.893 CC(=O)NNc1cc(ccc1C)C 22a_100000683361_100000070787 [0,1,0,0,0,1|1,0,0]=3 5296 B13R1.893 CC(=O)NNc1cc(ccc1C)Cl 22a_100020587667_100000070787 [0,1,0,0,0,1|1,0,0]=3 5297 B13R1.893 CC(=O)NNc1cc(ccc1C)F 22a_100011206524_100000070787 [0,1,0,0,0,1|1,0,0]=3 5298 B13R1.893 CC(=O)NNc1cc(ccc1Cl)C 22a_200020642191_100000070787 [0,1,0,0,0,1|1,0,0]=3 5299 B13R1.893 CC(=O)NNc1cc(ccc1Cl)Cl 22a_100000765587_100000070787 [0,1,0,0,0,1|1,0,0]=3 5300 B13R1.893 CC(=O)NNc1cc(ccc1Cl)F 22a_100016987657_100000070787 [0,1,0,0,0,1|1,0,0]=3 5301 B13R1.893 CC(=O)NNc1cc(ccc1F)Br 22a_100020610843_100000070787 [0,1,0,0,0,1|1,0,0]=3 5302 B13R1.893 CC(=O)NNc1cc(ccc1F)C 22a_100011248256_100000070787 [0,1,0,0,0,1|1,0,0]=3 5303 B13R1.893 CC(=O)NNc1cc(ccc1F)Cl 22a_100016987663_100000070787 [0,1,0,0,0,1|1,0,0]=3 5304 B13R1.893 CC(=O)NNc1cc(ccc1F)F 22a_100000005413_100000070787 [0,1,0,0,0,1|1,0,0]=3 5305 B13R1.893 CC(C)CNc1cc(ccc1O)Br 34a_100000752626_100000210624 [0,1,0,0,0,1|1,0,1]=4 5306 B13R1.893 CC(C)CNc1cc(ccc1O)Cl 34a_100000210500_100000210624 [0,1,0,0,0,1|1,0,1]=4 5307 B13R1.893 CC(C)CNc1cc(ccc1O)F 34a_100000759472_100000210624 [0,1,0,0,0,1|1,0,1]=4 5308 B13R1.893 CC(C)NCc1cc(ccc1O)Br 34a_100000730032_100000210206 [0,1,0,0,0,1|1,0,1]=4 5309 B13R1.893 CC(C)NCc1cc(ccc1O)Cl 34a_100000238540_100000210206 [0,1,0,0,0,1|1,0,1]=4 5310 B13R1.893 CC(C)NCc1cc(ccc1O)F 34a_100138425928_100010161318 [0,1,0,0,0,1|1,0,1]=4 5311 B13R1.893 CC(O)CNc1cc(ccc1O)Br 34a_100000752626_100011218427 [0,1,0,0,0,1|0,0,2]=4 5312 B13R1.893 CC(O)CNc1cc(ccc1O)Cl 34a_100000210500_100011218427 [0,1,0,0,0,1|0,0,2]=4 5313 B13R1.893 CC(O)CNc1cc(ccc1O)F 34a_100000759472_100011218427 [0,1,0,0,0,1|0,0,2]=4 5314 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)Br 34a_100000752626_100009817552 [0,1,0,0,0,1|0,0,2]=4 5315 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)Cl 34a_100000210500_100009817552 [0,1,0,0,0,1|0,0,2]=4 5316 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)F 34a_100000759472_100009817552 [0,1,0,0,0,1|0,0,2]=4 5317 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [0,1,0,0,0,1|2,0,0]=4 5318 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,1,0,0,0,1|2,0,0]=4 5319 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [0,1,0,0,0,1|2,0,0]=4 5320 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Br 34a_100000745044_100000187820 [0,1,0,0,0,1|2,0,0]=4 5321 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 2230a_100000185781_100000747473 [0,1,0,0,0,1|2,0,0]=4 5322 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 34a_100000185781_100000187820 [0,1,0,0,0,1|2,0,0]=4 5323 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 7a_100000185781_100000187820 [0,1,0,0,0,1|2,0,0]=4 5324 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Cl 34a_100011215360_100000187820 [0,1,0,0,0,1|2,0,0]=4 5325 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)F 34a_100000211285_100000187820 [0,1,0,0,0,1|2,0,0]=4 5326 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)I 34a_100011216686_100000187820 [0,1,0,0,0,1|2,0,0]=4 5327 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,1,0,0,0,1|1,0,0]=3 5328 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000745044_100020667443 [0,1,0,0,0,1|2,0,0]=4 5329 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])C 34a_100000185781_100020667443 [0,1,0,0,0,1|2,0,0]=4 5330 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100011215360_100020667443 [0,1,0,0,0,1|2,0,0]=4 5331 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])F 34a_100000211285_100020667443 [0,1,0,0,0,1|2,0,0]=4 5332 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])I 34a_100011216686_100020667443 [0,1,0,0,0,1|2,0,0]=4 5333 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,1,0,0,0,1|1,0,0]=3 5334 B13R1.893 Cc1ccc(c(c1)NCC(C)C)O 34a_100011215204_100000210624 [0,1,0,0,0,1|1,0,1]=4 5335 B13R1.893 Cc1ccc(c(c1)NCC(C)O)O 34a_100011215204_100011218427 [0,1,0,0,0,1|0,0,2]=4 5336 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)O 34a_100011215204_100009817552 [0,1,0,0,0,1|0,0,2]=4 5337 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100011215204_100000761209 [0,1,0,0,0,1|2,0,0]=4 5338 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])C 1458a_100000182428_200025704644 [0,1,0,0,0,1|2,0,0]=4 5339 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [0,1,0,0,0,1|2,0,0]=4 5340 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,1,0,0,0,1|2,0,0]=4 5341 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,1,0,0,0,1|2,0,0]=4 5342 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,1,0,0,0,1|2,0,0]=4 5343 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,1,0,0,0,1|2,0,0]=4 5344 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [0,1,0,0,0,1|2,0,0]=4 5345 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 34a_100000741167_100000187820 [0,1,0,0,0,1|2,0,0]=4 5346 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 7a_100000741167_100000187820 [0,1,0,0,0,1|2,0,0]=4 5347 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 34a_100000211374_100000187820 [0,1,0,0,0,1|2,0,0]=4 5348 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 7a_100000211374_100000187820 [0,1,0,0,0,1|2,0,0]=4 5349 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 34a_100000211107_100000187820 [0,1,0,0,0,1|2,0,0]=4 5350 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 7a_100000211107_100000187820 [0,1,0,0,0,1|2,0,0]=4 5351 B13R1.893 Cc1ccc(cc1NCC(=O)N)I 7a_100000761890_100000187820 [0,1,0,0,0,1|2,0,0]=4 5352 B13R1.893 Cc1ccc(cc1NCC(=O)N)O 34a_100011216113_100000187820 [0,1,0,0,0,1|2,0,0]=4 5353 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Br 34a_100000741167_100020667443 [0,1,0,0,0,1|2,0,0]=4 5354 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Cl 34a_100000211374_100020667443 [0,1,0,0,0,1|2,0,0]=4 5355 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])F 34a_100000211107_100020667443 [0,1,0,0,0,1|2,0,0]=4 5356 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])O 34a_100011216113_100020667443 [0,1,0,0,0,1|2,0,0]=4 5357 B13R1.893 NC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000187820 [0,1,0,0,0,1|2,0,0]=4 5358 B13R1.893 NC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000187820 [0,1,0,0,0,1|2,0,0]=4 5359 B13R1.893 NC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000187820 [0,1,0,0,0,1|2,0,0]=4 5360 B13R1.893 NC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000187820 [0,1,0,0,0,1|2,0,0]=4 5361 B13R1.893 NC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000187820 [0,1,0,0,0,1|2,0,0]=4 5362 B13R1.893 NC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000187820 [0,1,0,0,0,1|2,0,0]=4 5363 B13R1.893 NC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000187820 [0,1,0,0,0,1|2,0,0]=4 5364 B13R1.893 NC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000187820 [0,1,0,0,0,1|2,0,0]=4 5365 B13R1.893 NC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000187820 [0,1,0,0,0,1|2,0,0]=4 5366 B13R1.893 NC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000187820 [0,1,0,0,0,1|2,0,0]=4 5367 B13R1.893 NC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000187820 [0,1,0,0,0,1|2,0,0]=4 5368 B13R1.893 NC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000187820 [0,1,0,0,0,1|2,0,0]=4 5369 B13R1.893 NC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000187820 [0,1,0,0,0,1|2,0,0]=4 5370 B13R1.893 NC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000187820 [0,1,0,0,0,1|2,0,0]=4 5371 B13R1.893 NC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000187820 [0,1,0,0,0,1|2,0,0]=4 5372 B13R1.893 NC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000187820 [0,1,0,0,0,1|2,0,0]=4 5373 B13R1.893 NC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000187820 [0,1,0,0,0,1|2,0,0]=4 5374 B13R1.893 NC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000187820 [0,1,0,0,0,1|1,0,0]=3 5375 B13R1.893 NC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000187820 [0,1,0,0,0,1|1,0,0]=3 5376 B13R1.893 NC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000187820 [0,1,0,0,0,1|1,0,0]=3 5377 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100000747473_100012355227 [0,1,0,0,0,1|2,0,0]=4 5378 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747473 [0,1,0,0,0,1|2,0,0]=4 5379 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100000747473_100011356953 [0,1,0,0,0,1|2,0,0]=4 5380 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747473 [0,1,0,0,0,1|2,0,0]=4 5381 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747473 [0,1,0,0,0,1|2,0,0]=4 5382 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000747473_100000211999 [0,1,0,0,0,1|2,0,0]=4 5383 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100000747473_100011534360 [0,1,0,0,0,1|2,0,0]=4 5384 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747473 [0,1,0,0,0,1|2,0,0]=4 5385 B13R1.893 NC(=O)CSc1cc(ccc1O)O 62a_100000747473_100009813629 [0,1,0,0,0,1|2,0,0]=4 5386 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100011534360_100020667443 [0,1,0,0,0,1|2,0,0]=4 5387 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100011534360 [0,1,0,0,0,1|2,0,0]=4 5388 B13R1.893 O=C([O-])CNc1cc(ccc1Br)Br 34a_100000737762_100020667443 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.893 O=C([O-])CNc1cc(ccc1Br)Cl 34a_100000687073_100020667443 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.893 O=C([O-])CNc1cc(ccc1Br)F 34a_100000687223_100020667443 [0,1,0,0,0,1|2,0,0]=4 5391 B13R1.893 O=C([O-])CNc1cc(ccc1Br)O 34a_100011999798_100020667443 [0,1,0,0,0,1|2,0,0]=4 5392 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)Br 34a_100000750497_100020667443 [0,1,0,0,0,1|2,0,0]=4 5393 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)Cl 34a_100000184485_100020667443 [0,1,0,0,0,1|2,0,0]=4 5394 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)F 34a_100000751338_100020667443 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)I 34a_200000761891_100020667443 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100020667443 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.893 O=C([O-])CNc1cc(ccc1F)Br 34a_100000740924_100020667443 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.893 O=C([O-])CNc1cc(ccc1F)Cl 34a_100000212115_100020667443 [0,1,0,0,0,1|2,0,0]=4 5399 B13R1.893 O=C([O-])CNc1cc(ccc1F)F 34a_100000210742_100020667443 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.893 O=C([O-])CNc1cc(ccc1F)I 34a_100011464823_100020667443 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.893 O=C([O-])CNc1cc(ccc1F)O 34a_100012017239_100020667443 [0,1,0,0,0,1|2,0,0]=4 5402 B13R1.893 O=C([O-])CNc1cc(ccc1I)Br 34a_100000743836_100020667443 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.893 O=C([O-])CNc1cc(ccc1I)Cl 34a_100000761886_100020667443 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.893 O=C([O-])CNc1cc(ccc1I)F 34a_100011218093_100020667443 [0,1,0,0,0,1|2,0,0]=4 5405 B13R1.893 O=C([O-])CNc1cc(ccc1O)Br 34a_100000752626_100020667443 [0,1,0,0,0,1|1,0,0]=3 5406 B13R1.893 O=C([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100020667443 [0,1,0,0,0,1|1,0,0]=3 5407 B13R1.893 O=C([O-])CNc1cc(ccc1O)F 34a_100000759472_100020667443 [0,1,0,0,0,1|1,0,0]=3 5408 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100012355227_100020667443 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100020667443_100012355227 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100020667443 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100020667443_100011356953 [0,1,0,0,0,1|2,0,0]=4 5412 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100000211999_100020667443 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100020667443_100000211999 [0,1,0,0,0,1|2,0,0]=4 5414 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [0,1,0,0,0,1|2,0,0]=4 5415 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Br 34a_100000752626_100000761209 [0,1,0,0,0,1|2,0,0]=4 5416 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100000761209 [0,1,0,0,0,1|2,0,0]=4 5417 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)F 34a_100000759472_100000761209 [0,1,0,0,0,1|2,0,0]=4 5418 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [0,1,0,0,0,1|2,0,0]=4 5419 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [0,1,0,0,0,1|2,0,0]=4 5420 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [0,1,0,0,0,1|2,0,0]=4 5423 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [0,1,0,0,0,1|2,0,0]=4 5424 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [0,1,0,0,0,1|2,0,0]=4 5425 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [0,1,0,0,0,1|2,0,0]=4 5427 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [0,1,0,0,0,1|2,0,0]=4 5428 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [0,1,0,0,0,1|2,0,0]=4 5429 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200025704644 [0,1,0,0,0,1|2,0,0]=4 5430 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [0,1,0,0,0,1|2,0,0]=4 5431 B13R1.893 [13CH3]C(=O)COc1cc(ccc1F)F 1458a_100000752474_200025704644 [0,1,0,0,0,1|2,0,0]=4 5432 B13R1.893 [13CH3]C(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200025704644 [0,1,0,0,0,1|2,0,0]=4 5433 B13R1.3787 C=C(C)CNc1c(cccc1Br)Br 34a_100000690995_100000748629 [0,1,0,0,0,1|2,0,0]=4 5434 B13R1.3787 C=C(C)CNc1c(cccc1Br)C 34a_100011834072_100000748629 [0,1,0,0,0,1|2,0,0]=4 5435 B13R1.3787 C=C(C)CNc1c(cccc1Br)Cl 34a_100102946385_100000748629 [0,1,0,0,0,1|2,0,0]=4 5436 B13R1.3787 C=C(C)CNc1c(cccc1Br)F 34a_100000684712_100000748629 [0,1,0,0,0,1|2,0,0]=4 5437 B13R1.3787 C=C(C)CNc1c(cccc1Br)O 34a_100011934926_100000748629 [0,1,0,0,0,1|1,0,0]=3 5438 B13R1.3787 C=C(C)CNc1c(cccc1C)C 34a_100000185769_100000748629 [0,1,0,0,0,1|2,0,0]=4 5439 B13R1.3787 C=C(C)CNc1c(cccc1Cl)C 34a_100000756524_100000748629 [0,1,0,0,0,1|2,0,0]=4 5440 B13R1.3787 C=C(C)CNc1c(cccc1Cl)Cl 34a_100000210028_100000748629 [0,1,0,0,0,1|2,0,0]=4 5441 B13R1.3787 C=C(C)CNc1c(cccc1Cl)F 34a_100000760031_100000748629 [0,1,0,0,0,1|2,0,0]=4 5442 B13R1.3787 C=C(C)CNc1c(cccc1Cl)O 34a_100012022510_100000748629 [0,1,0,0,0,1|1,0,0]=3 5443 B13R1.3787 C=C(C)CNc1c(cccc1F)C 34a_100000766463_100000748629 [0,1,0,0,0,1|2,0,0]=4 5444 B13R1.3787 C=C(C)CNc1c(cccc1F)F 2230a_100000210704_100000748629 [0,1,0,0,0,1|2,0,0]=4 5445 B13R1.3787 C=C(C)CNc1c(cccc1F)F 34a_100000210704_100000748629 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.3787 C=C(C)CNc1c(cccc1F)O 34a_100020591140_100000748629 [0,1,0,0,0,1|1,0,0]=3 5447 B13R1.3787 C=C(C)CNc1c(cccc1I)F 34a_100000042321_100000748629 [0,1,0,0,0,1|2,0,0]=4 5448 B13R1.3787 C=C(C)CNc1c(cccc1O)C 34a_100000743429_100000748629 [0,1,0,0,0,1|1,0,0]=3 5449 B13R1.3787 C=C(C)CSc1c(cccc1Br)O 62a_100000748629_100010187912 [0,1,0,0,0,1|2,0,0]=4 5450 B13R1.3787 C=C(C)CSc1c(cccc1Br)O 62a_100010187912_100000211660 [0,1,0,0,0,1|2,0,0]=4 5451 B13R1.3787 C=C(C)CSc1c(cccc1Cl)O 62a_100000748629_100000050174 [0,1,0,0,0,1|2,0,0]=4 5452 B13R1.3787 C=C(C)CSc1c(cccc1F)O 62a_100000748629_100009820682 [0,1,0,0,0,1|2,0,0]=4 5453 B13R1.3787 C=C(C)CSc1c(cccc1F)O 62a_100009820682_100000211660 [0,1,0,0,0,1|2,0,0]=4 5454 B13R1.3787 C=C(C)CSc1c(cccc1O)C 62a_100000686692_100000211660 [0,1,0,0,0,1|2,0,0]=4 5455 B13R1.3787 C=C(C)CSc1c(cccc1O)C 62a_100000748629_100000686692 [0,1,0,0,0,1|2,0,0]=4 5456 B13R1.3787 C=C(C)CSc1c(cccc1O)N 62a_100000748629_100012183704 [0,1,0,0,0,1|2,0,0]=4 5457 B13R1.3787 C=C(C)CSc1c(cccc1O)N 62a_100012183704_100000211660 [0,1,0,0,0,1|2,0,0]=4 5458 B13R1.3787 C=C(C)CSc1c(cccc1O)O 62a_100000748629_100010205330 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.3787 C=C(F)CNc1c(cccc1Br)O 34a_100011934926_100009893438 [0,1,0,0,0,1|1,0,1]=4 5460 B13R1.3787 C=C(F)CNc1c(cccc1Cl)O 34a_100012022510_100009893438 [0,1,0,0,0,1|1,0,1]=4 5461 B13R1.3787 C=C(F)CNc1c(cccc1F)O 34a_100020591140_100009893438 [0,1,0,0,0,1|1,0,1]=4 5462 B13R1.3787 C=C(F)CNc1c(cccc1O)C 34a_100000743429_100009893438 [0,1,0,0,0,1|1,0,1]=4 5463 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200000210301 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200000210301 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.3787 CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200000210301 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.3787 CC(=O)CCc1c(cccc1C)C 1458a_200011998103_200000210301 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100000070787_100012161200 [0,1,0,0,0,1|2,0,0]=4 5468 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200000210301 [0,1,0,0,0,1|2,0,0]=4 5469 B13R1.3787 CC(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200000210301 [0,1,0,0,0,1|2,0,0]=4 5470 B13R1.3787 CC(=O)CCc1c(cccc1F)F 1458a_100000738981_200000210301 [0,1,0,0,0,1|2,0,0]=4 5471 B13R1.3787 CC(=O)COc1c(cccc1C)C 1458a_100000184085_200000210301 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.3787 CC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200000210301 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.3787 CC(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200000210301 [0,1,0,0,0,1|2,0,0]=4 5474 B13R1.3787 CC(=O)NCc1c(cccc1Br)F 11a_100012349121_100015343762 [0,1,0,0,0,1|1,0,0]=3 5475 B13R1.3787 CC(=O)NCc1c(cccc1Br)F 1626a_100012349121_100015343762 [0,1,0,0,0,1|1,0,0]=3 5476 B13R1.3787 CC(=O)NCc1c(cccc1Br)F 240690a_100012349121_100015343762 [0,1,0,0,0,1|1,0,0]=3 5477 B13R1.3787 CC(=O)NCc1c(cccc1Br)F 527a_100012349121_100103153847 [0,1,0,0,0,1|1,0,0]=3 5478 B13R1.3787 CC(=O)NCc1c(cccc1C)C 11a_100000689800_100015343762 [0,1,0,0,0,1|1,0,0]=3 5479 B13R1.3787 CC(=O)NCc1c(cccc1C)C 1626a_100000689800_100015343762 [0,1,0,0,0,1|1,0,0]=3 5480 B13R1.3787 CC(=O)NCc1c(cccc1C)C 240690a_100000689800_100015343762 [0,1,0,0,0,1|1,0,0]=3 5481 B13R1.3787 CC(=O)NCc1c(cccc1C)C 527a_100000689800_100103153847 [0,1,0,0,0,1|1,0,0]=3 5482 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 11a_100000174884_100015343762 [0,1,0,0,0,1|1,0,0]=3 5483 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 1626a_100000174884_100015343762 [0,1,0,0,0,1|1,0,0]=3 5484 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 240690a_100000174884_100015343762 [0,1,0,0,0,1|1,0,0]=3 5485 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 527a_100000174884_100103153847 [0,1,0,0,0,1|1,0,0]=3 5486 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 11a_100000174883_100015343762 [0,1,0,0,0,1|1,0,0]=3 5487 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 1626a_100000174883_100015343762 [0,1,0,0,0,1|1,0,0]=3 5488 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 240690a_100000174883_100015343762 [0,1,0,0,0,1|1,0,0]=3 5489 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 527a_100000174883_100103153847 [0,1,0,0,0,1|1,0,0]=3 5490 B13R1.3787 CC(=O)NCc1c(cccc1F)C 11a_100000762012_100015343762 [0,1,0,0,0,1|1,0,0]=3 5491 B13R1.3787 CC(=O)NCc1c(cccc1F)C 1626a_100000762012_100015343762 [0,1,0,0,0,1|1,0,0]=3 5492 B13R1.3787 CC(=O)NCc1c(cccc1F)C 240690a_100000762012_100015343762 [0,1,0,0,0,1|1,0,0]=3 5493 B13R1.3787 CC(=O)NCc1c(cccc1F)C 527a_100000762012_100103153847 [0,1,0,0,0,1|1,0,0]=3 5494 B13R1.3787 CC(=O)NCc1c(cccc1F)F 11a_100000688400_100015343762 [0,1,0,0,0,1|1,0,0]=3 5495 B13R1.3787 CC(=O)NCc1c(cccc1F)F 1626a_100000688400_100015343762 [0,1,0,0,0,1|1,0,0]=3 5496 B13R1.3787 CC(=O)NCc1c(cccc1F)F 240690a_100000688400_100015343762 [0,1,0,0,0,1|1,0,0]=3 5497 B13R1.3787 CC(=O)NCc1c(cccc1F)F 527a_100000688400_100103153847 [0,1,0,0,0,1|1,0,0]=3 5498 B13R1.3787 CC(=O)NCc1c(cncc1Cl)Cl 11a_200009887528_100015343762 [0,1,0,0,0,1|2,0,0]=4 5499 B13R1.3787 CC(=O)NCc1c(cncc1Cl)Cl 1626a_200009887528_100015343762 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.3787 CC(=O)NCc1c(cncc1Cl)Cl 240690a_200009887528_100015343762 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.3787 CC(=O)NCc1c(cncc1Cl)Cl 527a_200009887528_100103153847 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.3787 CC(=O)NNc1c(cccc1Br)F 22a_100016994982_100000070787 [0,1,0,0,0,1|1,0,0]=3 5503 B13R1.3787 CC(=O)NNc1c(cccc1C)C 22a_100016987787_100000070787 [0,1,0,0,0,1|1,0,0]=3 5504 B13R1.3787 CC(=O)NNc1c(cccc1Cl)Cl 22a_100000688888_100000070787 [0,1,0,0,0,1|1,0,0]=3 5505 B13R1.3787 CC(=O)NNc1c(cccc1Cl)F 22a_100000703590_100000070787 [0,1,0,0,0,1|1,0,0]=3 5506 B13R1.3787 CC(=O)NNc1c(cccc1F)F 22a_100000757689_100000070787 [0,1,0,0,0,1|1,0,0]=3 5507 B13R1.3787 CC(C)CNc1c(cccc1Br)O 34a_100011934926_100000210624 [0,1,0,0,0,1|1,0,1]=4 5508 B13R1.3787 CC(C)CNc1c(cccc1Cl)O 34a_100012022510_100000210624 [0,1,0,0,0,1|1,0,1]=4 5509 B13R1.3787 CC(C)CNc1c(cccc1F)O 34a_100020591140_100000210624 [0,1,0,0,0,1|1,0,1]=4 5510 B13R1.3787 CC(O)CNc1c(cccc1Br)O 34a_100011934926_100011218427 [0,1,0,0,0,1|0,0,2]=4 5511 B13R1.3787 CC(O)CNc1c(cccc1Cl)O 34a_100012022510_100011218427 [0,1,0,0,0,1|0,0,2]=4 5512 B13R1.3787 CC(O)CNc1c(cccc1F)O 34a_100020591140_100011218427 [0,1,0,0,0,1|0,0,2]=4 5513 B13R1.3787 C[C@@H](O)CNc1c(cccc1Br)O 34a_100011934926_100009817552 [0,1,0,0,0,1|0,0,2]=4 5514 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)O 34a_100012022510_100009817552 [0,1,0,0,0,1|0,0,2]=4 5515 B13R1.3787 C[C@@H](O)CNc1c(cccc1F)O 34a_100020591140_100009817552 [0,1,0,0,0,1|0,0,2]=4 5516 B13R1.3787 Cc1cccc(c1CCC(=O)[13CH3])C 1458a_200011998103_200025704644 [0,1,0,0,0,1|2,0,0]=4 5517 B13R1.3787 Cc1cccc(c1NCC(=O)N)Br 34a_100011834072_100000187820 [0,1,0,0,0,1|2,0,0]=4 5518 B13R1.3787 Cc1cccc(c1NCC(=O)N)C 34a_100000185769_100000187820 [0,1,0,0,0,1|2,0,0]=4 5519 B13R1.3787 Cc1cccc(c1NCC(=O)N)Cl 34a_100000756524_100000187820 [0,1,0,0,0,1|2,0,0]=4 5520 B13R1.3787 Cc1cccc(c1NCC(=O)N)F 34a_100000766463_100000187820 [0,1,0,0,0,1|2,0,0]=4 5521 B13R1.3787 Cc1cccc(c1NCC(=O)N)O 34a_100000743429_100000187820 [0,1,0,0,0,1|1,0,0]=3 5522 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])Br 34a_100011834072_100020667443 [0,1,0,0,0,1|2,0,0]=4 5523 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])C 34a_100000185769_100020667443 [0,1,0,0,0,1|2,0,0]=4 5524 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])Cl 34a_100000756524_100020667443 [0,1,0,0,0,1|2,0,0]=4 5525 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])F 34a_100000766463_100020667443 [0,1,0,0,0,1|2,0,0]=4 5526 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])O 34a_100000743429_100020667443 [0,1,0,0,0,1|1,0,0]=3 5527 B13R1.3787 Cc1cccc(c1NCC(C)C)O 34a_100000743429_100000210624 [0,1,0,0,0,1|1,0,1]=4 5528 B13R1.3787 Cc1cccc(c1NCC(C)O)O 34a_100000743429_100011218427 [0,1,0,0,0,1|0,0,2]=4 5529 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)O 34a_100000743429_100009817552 [0,1,0,0,0,1|0,0,2]=4 5530 B13R1.3787 Cc1cccc(c1NC[N+](=O)[O-])O 34a_100000743429_100000761209 [0,1,0,0,0,1|2,0,0]=4 5531 B13R1.3787 Cc1cccc(c1OCC(=O)[13CH3])C 1458a_100000184085_200025704644 [0,1,0,0,0,1|2,0,0]=4 5532 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000686692_100000747473 [0,1,0,0,0,1|2,0,0]=4 5533 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000747473_100000686692 [0,1,0,0,0,1|2,0,0]=4 5534 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100000686692_100020667443 [0,1,0,0,0,1|2,0,0]=4 5535 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100000686692 [0,1,0,0,0,1|2,0,0]=4 5536 B13R1.3787 NC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000187820 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.3787 NC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000187820 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.3787 NC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000187820 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.3787 NC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000187820 [0,1,0,0,0,1|1,0,0]=3 5540 B13R1.3787 NC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000187820 [0,1,0,0,0,1|2,0,0]=4 5541 B13R1.3787 NC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000187820 [0,1,0,0,0,1|2,0,0]=4 5542 B13R1.3787 NC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000187820 [0,1,0,0,0,1|1,0,0]=3 5543 B13R1.3787 NC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000747473 [0,1,0,0,0,1|2,0,0]=4 5544 B13R1.3787 NC(=O)CNc1c(cccc1F)F 34a_100000210704_100000187820 [0,1,0,0,0,1|2,0,0]=4 5545 B13R1.3787 NC(=O)CNc1c(cccc1F)O 34a_100020591140_100000187820 [0,1,0,0,0,1|1,0,0]=3 5546 B13R1.3787 NC(=O)CNc1c(cccc1I)F 34a_100000042321_100000187820 [0,1,0,0,0,1|2,0,0]=4 5547 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100000747473_100010187912 [0,1,0,0,0,1|2,0,0]=4 5548 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747473 [0,1,0,0,0,1|2,0,0]=4 5549 B13R1.3787 NC(=O)CSc1c(cccc1Cl)O 62a_100000747473_100000050174 [0,1,0,0,0,1|2,0,0]=4 5550 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100000747473_100009820682 [0,1,0,0,0,1|2,0,0]=4 5551 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747473 [0,1,0,0,0,1|2,0,0]=4 5552 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100000747473_100012183704 [0,1,0,0,0,1|2,0,0]=4 5553 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747473 [0,1,0,0,0,1|2,0,0]=4 5554 B13R1.3787 NC(=O)CSc1c(cccc1O)O 62a_100000747473_100010205330 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100012183704_100020667443 [0,1,0,0,0,1|2,0,0]=4 5556 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100012183704 [0,1,0,0,0,1|2,0,0]=4 5557 B13R1.3787 O=C([O-])CNc1c(cccc1Br)Br 34a_100000690995_100020667443 [0,1,0,0,0,1|2,0,0]=4 5558 B13R1.3787 O=C([O-])CNc1c(cccc1Br)Cl 34a_100102946385_100020667443 [0,1,0,0,0,1|2,0,0]=4 5559 B13R1.3787 O=C([O-])CNc1c(cccc1Br)F 34a_100000684712_100020667443 [0,1,0,0,0,1|2,0,0]=4 5560 B13R1.3787 O=C([O-])CNc1c(cccc1Br)O 34a_100011934926_100020667443 [0,1,0,0,0,1|1,0,0]=3 5561 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)Cl 34a_100000210028_100020667443 [0,1,0,0,0,1|2,0,0]=4 5562 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)F 34a_100000760031_100020667443 [0,1,0,0,0,1|2,0,0]=4 5563 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)O 34a_100012022510_100020667443 [0,1,0,0,0,1|1,0,0]=3 5564 B13R1.3787 O=C([O-])CNc1c(cccc1F)F 34a_100000210704_100020667443 [0,1,0,0,0,1|2,0,0]=4 5565 B13R1.3787 O=C([O-])CNc1c(cccc1F)O 34a_100020591140_100020667443 [0,1,0,0,0,1|1,0,0]=3 5566 B13R1.3787 O=C([O-])CNc1c(cccc1I)F 34a_100000042321_100020667443 [0,1,0,0,0,1|2,0,0]=4 5567 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100010187912_100020667443 [0,1,0,0,0,1|2,0,0]=4 5568 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100020667443_100010187912 [0,1,0,0,0,1|2,0,0]=4 5569 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)O 62a_100020667443_100000050174 [0,1,0,0,0,1|2,0,0]=4 5570 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100009820682_100020667443 [0,1,0,0,0,1|2,0,0]=4 5571 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100020667443_100009820682 [0,1,0,0,0,1|2,0,0]=4 5572 B13R1.3787 O=C([O-])CSc1c(cccc1O)O 62a_100020667443_100010205330 [0,1,0,0,0,1|2,0,0]=4 5573 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Br)O 34a_100011934926_100000761209 [0,1,0,0,0,1|2,0,0]=4 5574 B13R1.3787 O=[N+]([O-])CNc1c(cccc1Cl)O 34a_100012022510_100000761209 [0,1,0,0,0,1|2,0,0]=4 5575 B13R1.3787 O=[N+]([O-])CNc1c(cccc1F)O 34a_100020591140_100000761209 [0,1,0,0,0,1|2,0,0]=4 5576 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200025704644 [0,1,0,0,0,1|2,0,0]=4 5577 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200025704644 [0,1,0,0,0,1|2,0,0]=4 5578 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200025704644 [0,1,0,0,0,1|2,0,0]=4 5579 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200025704644 [0,1,0,0,0,1|2,0,0]=4 5580 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200025704644 [0,1,0,0,0,1|2,0,0]=4 5581 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1F)F 1458a_100000738981_200025704644 [0,1,0,0,0,1|2,0,0]=4 5582 B13R1.3787 [13CH3]C(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200025704644 [0,1,0,0,0,1|2,0,0]=4 5583 B13R1.3787 [13CH3]C(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200025704644 [0,1,0,0,0,1|2,0,0]=4 5584 B13R1.51 C#Cc1cc(ccc1NC(=O)C)C 11a_200012001881_100015343762 [0,2,0,0,0,0|1,0,0]=3 5585 B13R1.51 C#Cc1cc(ccc1NC(=O)C)C 1626a_200012001881_100015343762 [0,2,0,0,0,0|1,0,0]=3 5586 B13R1.51 C#Cc1cc(ccc1NC(=O)C)C 22a_200012001881_100000070787 [0,2,0,0,0,0|1,0,0]=3 5587 B13R1.51 C=Cc1cc(ccc1NC(=O)C)Br 271570a_100011290941_100009813020 [0,2,0,0,0,0|1,0,0]=3 5588 B13R1.51 C=Cc1cc(ccc1NC(=O)C)C 271570a_100011290941_100000152032 [0,2,0,0,0,0|1,0,0]=3 5589 B13R1.51 C=Cc1cc(ccc1NC(=O)C)F 271570a_100011290941_100011215554 [0,2,0,0,0,0|1,0,0]=3 5590 B13R1.51 C=Cc1cc(cnc1NC(=O)C)C 271570a_100011290941_200009816786 [0,2,0,0,0,0|2,0,0]=4 5591 B13R1.51 CC(=Cc1ccc(cc1CO)Br)C 271570a_100102525489_100011356890 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.51 CC(=Cc1ccc(cc1CO)C)C 271570a_100102525489_100012361352 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.51 CC(=Cc1ccc(cc1CO)F)C 271570a_100102525489_100011217561 [0,2,0,0,0,0|2,0,0]=4 5594 B13R1.51 CC(=Cc1ccc(cc1CO)N)C 271570a_100102525489_100012347228 [0,2,0,0,0,0|2,0,0]=4 5595 B13R1.51 CC(=Cc1ccc(cc1CO)O)C 271570a_100102525489_100012351483 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.51 CC(=O)Cc1ccc(cc1C#N)Br 1458a_100000070787_100000687761 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.51 CC(=O)Cc1ccc(cc1C#N)Cl 1458a_100000070787_100000702095 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.51 CC(=O)Cc1ccc(cc1C#N)F 1458a_100000070787_100000751460 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.51 CC(=O)Cc1ccc(cc1C=O)F 1458a_100000070787_100010132769 [0,2,0,0,0,0|1,0,1]=4 5600 B13R1.51 CC(=O)Nc1ccc(cc1C#N)Br 11a_100000688460_100015343762 [0,2,0,0,0,0|1,0,0]=3 5601 B13R1.51 CC(=O)Nc1ccc(cc1C#N)Br 1626a_100000688460_100015343762 [0,2,0,0,0,0|1,0,0]=3 5602 B13R1.51 CC(=O)Nc1ccc(cc1C#N)C 11a_100011934023_100015343762 [0,2,0,0,0,0|1,0,0]=3 5603 B13R1.51 CC(=O)Nc1ccc(cc1C#N)C 1626a_100011934023_100015343762 [0,2,0,0,0,0|1,0,0]=3 5604 B13R1.51 CC(=O)Nc1ccc(cc1C#N)Cl 11a_100011219925_100015343762 [0,2,0,0,0,0|1,0,0]=3 5605 B13R1.51 CC(=O)Nc1ccc(cc1C#N)Cl 1626a_100011219925_100015343762 [0,2,0,0,0,0|1,0,0]=3 5606 B13R1.51 CC(=O)Nc1ccc(cc1C#N)F 11a_100000685569_100015343762 [0,2,0,0,0,0|1,0,0]=3 5607 B13R1.51 CC(=O)Nc1ccc(cc1C#N)F 1626a_100000685569_100015343762 [0,2,0,0,0,0|1,0,0]=3 5608 B13R1.51 CC(=O)Nc1ccc(cc1C#N)I 11a_100000049818_100015343762 [0,2,0,0,0,0|1,0,0]=3 5609 B13R1.51 CC(=O)Nc1ccc(cc1C#N)I 1626a_100000049818_100015343762 [0,2,0,0,0,0|1,0,0]=3 5610 B13R1.51 CC(=O)Nc1ccc(cc1C#N)O 527a_200011997737_100103153847 [0,2,0,0,0,0|1,0,0]=3 5611 B13R1.51 CC(=O)Nc1ccc(cc1CO)Br 22a_100012353972_100000070787 [0,2,0,0,0,0|0,0,0]=2 5612 B13R1.51 CC(=O)Nc1ccc(cc1CO)C 22a_100011215565_100000070787 [0,2,0,0,0,0|0,0,0]=2 5613 B13R1.51 CC(=O)Nc1ccc(cc1CO)C 527a_100011215565_100103153847 [0,2,0,0,0,0|0,0,0]=2 5614 B13R1.51 CC(=O)Nc1ccc(cc1CO)Cl 22a_100011214999_100000070787 [0,2,0,0,0,0|0,0,0]=2 5615 B13R1.51 CC(=O)Nc1ccc(cc1CO)F 22a_100011296978_100000070787 [0,2,0,0,0,0|0,0,0]=2 5616 B13R1.51 CC(=O)Nc1ccc(cc1CO)I 22a_114929179932_100000070787 [0,2,0,0,0,0|0,0,0]=2 5617 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Br 34a_100000749274_200025704644 [0,2,0,0,0,0|1,0,0]=3 5618 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Br 7a_100000749274_200025704644 [0,2,0,0,0,0|1,0,0]=3 5619 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 2230a_100000750913_200025704644 [0,2,0,0,0,0|1,0,0]=3 5620 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 34a_100000750913_200025704644 [0,2,0,0,0,0|1,0,0]=3 5621 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 7a_100000750913_200025704644 [0,2,0,0,0,0|1,0,0]=3 5622 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Cl 34a_100000747302_200025704644 [0,2,0,0,0,0|1,0,0]=3 5623 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Cl 7a_100000747302_200025704644 [0,2,0,0,0,0|1,0,0]=3 5624 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 34a_100000161862_200025704644 [0,2,0,0,0,0|0,0,0]=2 5625 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 7a_100000161862_200025704644 [0,2,0,0,0,0|0,0,0]=2 5626 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])Br 62a_100009813020_200025704644 [0,2,0,0,0,0|0,1,0]=3 5627 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])C 62a_200025704644_100000152032 [0,2,0,0,0,0|0,1,0]=3 5628 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])F 62a_200025704644_100011215554 [0,2,0,0,0,0|0,1,0]=3 5629 B13R1.51 CC(=O)Nc1ncc(cc1S[13CH3])C 62a_200025704644_200009816786 [0,2,0,0,0,0|1,1,0]=4 5630 B13R1.51 CC(C)Nc1ccc(cc1CO)Br 34a_100012353972_100000210206 [0,2,0,0,0,0|1,0,1]=4 5631 B13R1.51 CC(C)Nc1ccc(cc1CO)Cl 34a_100011214999_100000210206 [0,2,0,0,0,0|1,0,1]=4 5632 B13R1.51 CC(C)Nc1ccc(cc1CO)F 34a_100011296978_100000210206 [0,2,0,0,0,0|1,0,1]=4 5633 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 11a_100000686106_100015343762 [0,2,0,0,0,0|1,0,0]=3 5634 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 1626a_100000686106_100015343762 [0,2,0,0,0,0|1,0,0]=3 5635 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 22a_100000686106_100000070787 [0,2,0,0,0,0|1,0,0]=3 5636 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 527a_100000686106_100103153847 [0,2,0,0,0,0|1,0,0]=3 5637 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 11a_100012017146_100015343762 [0,2,0,0,0,0|1,0,0]=3 5638 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 1626a_100012017146_100015343762 [0,2,0,0,0,0|1,0,0]=3 5639 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 22a_100012017146_100000070787 [0,2,0,0,0,0|1,0,0]=3 5640 B13R1.51 CCc1cc(ccc1NC(=O)C)I 11a_100000014069_100015343762 [0,2,0,0,0,0|1,0,0]=3 5641 B13R1.51 CCc1cc(ccc1NC(=O)C)I 1626a_100000014069_100015343762 [0,2,0,0,0,0|1,0,0]=3 5642 B13R1.51 CCc1cc(ccc1NC(=O)C)I 22a_100000014069_100000070787 [0,2,0,0,0,0|1,0,0]=3 5643 B13R1.51 CCc1cc(ccc1NC(=O)C)I 527a_100000014069_100103153847 [0,2,0,0,0,0|1,0,0]=3 5644 B13R1.51 CNc1cc(ccc1NC(=O)C)Br 34a_100000749274_200000210301 [0,2,0,0,0,0|1,0,0]=3 5645 B13R1.51 CNc1cc(ccc1NC(=O)C)Br 7a_100000749274_200000210301 [0,2,0,0,0,0|1,0,0]=3 5646 B13R1.51 CNc1cc(ccc1NC(=O)C)C 2230a_100000750913_200000210301 [0,2,0,0,0,0|1,0,0]=3 5647 B13R1.51 CNc1cc(ccc1NC(=O)C)C 34a_100000750913_200000210301 [0,2,0,0,0,0|1,0,0]=3 5648 B13R1.51 CNc1cc(ccc1NC(=O)C)C 7a_100000750913_200000210301 [0,2,0,0,0,0|1,0,0]=3 5649 B13R1.51 CNc1cc(ccc1NC(=O)C)Cl 34a_100000747302_200000210301 [0,2,0,0,0,0|1,0,0]=3 5650 B13R1.51 CNc1cc(ccc1NC(=O)C)Cl 7a_100000747302_200000210301 [0,2,0,0,0,0|1,0,0]=3 5651 B13R1.51 COc1cc(ccc1C=C(C)C)Br 271570a_100102525489_100010245111 [0,2,0,0,0,0|2,0,0]=4 5652 B13R1.51 COc1cc(ccc1C=C(C)C)C 271570a_100102525489_100010200004 [0,2,0,0,0,0|2,0,0]=4 5653 B13R1.51 COc1cc(ccc1C=C(C)C)Cl 271570a_100102525489_100000050115 [0,2,0,0,0,0|2,0,0]=4 5654 B13R1.51 COc1cc(ccc1C=C(C)C)F 271570a_100102525489_100000757151 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.51 COc1cc(ccc1C=C(C)C)N 271570a_100102525489_100000765947 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.51 COc1cc(ccc1C=C(C)C)O 271570a_100102525489_100011827694 [0,2,0,0,0,0|2,0,0]=4 5657 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [0,2,0,0,0,0|1,0,0]=3 5658 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [0,2,0,0,0,0|1,0,0]=3 5659 B13R1.51 COc1cc(ccc1CC(=O)C)Cl 1458a_100010217541_200000210301 [0,2,0,0,0,0|1,0,0]=3 5660 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000062011_200000210301 [0,2,0,0,0,0|1,0,0]=3 5661 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000070787_200010171551 [0,2,0,0,0,0|1,0,0]=3 5662 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [0,2,0,0,0,0|1,0,0]=3 5663 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Cl 1458a_100010217541_200025704644 [0,2,0,0,0,0|1,0,0]=3 5664 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])F 1458a_100000062011_200025704644 [0,2,0,0,0,0|1,0,0]=3 5665 B13R1.51 COc1cc(ccc1NC(=O)C)Br 11a_100011279103_100015343762 [0,2,0,0,0,0|0,0,0]=2 5666 B13R1.51 COc1cc(ccc1NC(=O)C)Br 1626a_100011279103_100015343762 [0,2,0,0,0,0|0,0,0]=2 5667 B13R1.51 COc1cc(ccc1NC(=O)C)Br 22a_100011279103_100000070787 [0,2,0,0,0,0|0,0,0]=2 5668 B13R1.51 COc1cc(ccc1NC(=O)C)C 11a_100000746441_100015343762 [0,2,0,0,0,0|0,0,0]=2 5669 B13R1.51 COc1cc(ccc1NC(=O)C)C 1626a_100000746441_100015343762 [0,2,0,0,0,0|0,0,0]=2 5670 B13R1.51 COc1cc(ccc1NC(=O)C)C 22a_100000746441_100000070787 [0,2,0,0,0,0|0,0,0]=2 5671 B13R1.51 COc1cc(ccc1NC(=O)C)C 34a_100000161862_200000210301 [0,2,0,0,0,0|0,0,0]=2 5672 B13R1.51 COc1cc(ccc1NC(=O)C)C 527a_100000746441_100103153847 [0,2,0,0,0,0|0,0,0]=2 5673 B13R1.51 COc1cc(ccc1NC(=O)C)C 7a_100000161862_200000210301 [0,2,0,0,0,0|0,0,0]=2 5674 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 11a_100000707585_100015343762 [0,2,0,0,0,0|0,0,0]=2 5675 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 1626a_100000707585_100015343762 [0,2,0,0,0,0|0,0,0]=2 5676 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 22a_100000707585_100000070787 [0,2,0,0,0,0|0,0,0]=2 5677 B13R1.51 COc1cc(ccc1NC(=O)C)F 11a_100000737216_100015343762 [0,2,0,0,0,0|0,0,0]=2 5678 B13R1.51 COc1cc(ccc1NC(=O)C)F 1626a_100000737216_100015343762 [0,2,0,0,0,0|0,0,0]=2 5679 B13R1.51 COc1cc(ccc1NC(=O)C)F 22a_100000737216_100000070787 [0,2,0,0,0,0|0,0,0]=2 5680 B13R1.51 COc1cc(ccc1NC(=O)C)F 527a_100000737216_100103153847 [0,2,0,0,0,0|0,0,0]=2 5681 B13R1.51 COc1cc(ccc1NC(=O)C)I 11a_100015196925_100015343762 [0,2,0,0,0,0|0,0,0]=2 5682 B13R1.51 COc1cc(ccc1NC(=O)C)I 1626a_100015196925_100015343762 [0,2,0,0,0,0|0,0,0]=2 5683 B13R1.51 COc1cc(ccc1NC(=O)C)I 22a_100015196925_100000070787 [0,2,0,0,0,0|0,0,0]=2 5684 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [0,2,0,0,0,0|0,0,0]=2 5685 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [0,2,0,0,0,0|0,0,0]=2 5686 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [0,2,0,0,0,0|0,0,0]=2 5687 B13R1.51 COc1cc(ccc1NC(C)C)Br 34a_100011279103_100000210206 [0,2,0,0,0,0|1,0,1]=4 5688 B13R1.51 COc1cc(ccc1NC(C)C)C 2230a_100000746441_100000210206 [0,2,0,0,0,0|1,0,1]=4 5689 B13R1.51 COc1cc(ccc1NC(C)C)C 34a_100000746441_100000210206 [0,2,0,0,0,0|1,0,1]=4 5690 B13R1.51 COc1cc(ccc1NC(C)C)Cl 34a_100000707585_100000210206 [0,2,0,0,0,0|1,0,1]=4 5691 B13R1.51 COc1cc(ccc1NC(C)C)F 34a_100000737216_100000210206 [0,2,0,0,0,0|1,0,1]=4 5692 B13R1.51 COc1cc(ccc1NC(C)C)I 34a_100015196925_100000210206 [0,2,0,0,0,0|1,0,1]=4 5693 B13R1.51 COc1cc(ccc1NC(C)C)O 34a_100015326901_100000210206 [0,2,0,0,0,0|1,0,1]=4 5694 B13R1.51 COc1nc(ccc1CC(=O)C)Br 1458a_100000070787_100016029037 [0,2,0,0,0,0|2,0,0]=4 5695 B13R1.51 CSc1cc(ccc1NC(=O)C)Br 62a_100009813020_200000210301 [0,2,0,0,0,0|0,1,0]=3 5696 B13R1.51 CSc1cc(ccc1NC(=O)C)C 62a_200000210301_100000152032 [0,2,0,0,0,0|0,1,0]=3 5697 B13R1.51 CSc1cc(ccc1NC(=O)C)F 62a_200000210301_100011215554 [0,2,0,0,0,0|0,1,0]=3 5698 B13R1.51 CSc1cc(cnc1NC(=O)C)C 62a_200000210301_200009816786 [0,2,0,0,0,0|1,1,0]=4 5699 B13R1.51 Cc1ccc(c(c1)CO)NC(C)C 34a_100011215565_100000210206 [0,2,0,0,0,0|1,0,1]=4 5700 B13R1.89 CC(=C(C)c1ccccc1CO)C 271570a_200000049429_100000187465 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.89 CC(=O)N(C)c1ccccc1C#N 11a_100000744078_100015343762 [0,2,0,0,0,0|1,0,0]=3 5702 B13R1.89 CC(=O)N(C)c1ccccc1C#N 1626a_100000744078_100015343762 [0,2,0,0,0,0|1,0,0]=3 5703 B13R1.89 COc1ccccc1C(=C(C)C)C 271570a_200000049429_100000174000 [0,2,0,0,0,0|2,0,0]=4 5704 B13R1.89 COc1ccccc1C(C)C(=O)C 1458a_100011435281_200000210301 [0,2,0,0,0,0|1,0,0]=3 5705 B13R1.89 COc1ccccc1C(C)C(=O)[13CH3] 1458a_100011435281_200025704644 [0,2,0,0,0,0|1,0,0]=3 5706 B13R1.89 COc1ccccc1N(C)C(=O)C 11a_100000219746_100015343762 [0,2,0,0,0,0|0,0,0]=2 5707 B13R1.89 COc1ccccc1N(C)C(=O)C 1626a_100000219746_100015343762 [0,2,0,0,0,0|0,0,0]=2 5708 B13R1.89 COc1ccccc1N(C)C(=O)C 22a_100000219746_100000070787 [0,2,0,0,0,0|0,0,0]=2 5709 B13R1.89 COc1ccccc1N(C)C(C)C 2230a_100000219746_100000210206 [0,2,0,0,0,0|1,0,1]=4 5710 B13R1.89 COc1ccccc1N(C)C(C)C 269982a_100000219746_100000210206 [0,2,0,0,0,0|1,0,1]=4 5711 B13R1.89 COc1ccccc1N(C)C(C)C 34a_100000219746_100000210206 [0,2,0,0,0,0|1,0,1]=4 5712 B13R1.91 C#CC(=O)Cc1ccccc1CO 1458a_100000211873_100009816955 [0,2,0,0,0,0|1,0,1]=4 5713 B13R1.91 C#CC(=O)Cc1ccccc1OC 1458a_100000211873_100000210004 [0,2,0,0,0,0|1,0,1]=4 5714 B13R1.91 C#CC(C)Nc1ccccc1CO 34a_100000212039_200000035995 [0,2,0,0,0,0|1,0,1]=4 5715 B13R1.91 C#CC(C)Nc1ccccc1OC 34a_100000210025_200000035995 [0,2,0,0,0,0|1,0,1]=4 5716 B13R1.91 C#Cc1ccccc1NC(=O)C=C 1626a_100011470550_100000185746 [0,2,0,0,0,0|1,0,1]=4 5717 B13R1.91 C#Cc1ccccc1NC(=O)C=C 22a_100011470550_100000185746 [0,2,0,0,0,0|1,0,1]=4 5718 B13R1.91 C#Cc1ccccc1NC(=O)CC 11a_100011470550_100000210414 [0,2,0,0,0,0|1,0,0]=3 5719 B13R1.91 C#Cc1ccccc1NC(=O)CC 1626a_100011470550_100000210414 [0,2,0,0,0,0|1,0,0]=3 5720 B13R1.91 C#Cc1ccccc1NC(=O)CC 22a_100011470550_100000210414 [0,2,0,0,0,0|1,0,0]=3 5721 B13R1.91 C#Cc1ccccc1NC(=O)CO 22a_100011470550_100000210174 [0,2,0,0,0,0|1,0,0]=3 5722 B13R1.91 C#Cc1ccccc1NC(=O)NC 2430a_100011470550_100102657272 [0,2,0,0,0,0|1,0,0]=3 5723 B13R1.91 C=CC(=O)Cc1ccccc1CO 1458a_100000185746_100009816955 [0,2,0,0,0,0|1,0,1]=4 5724 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,2,0,0,0,0|1,0,1]=4 5725 B13R1.91 C=CC(=O)Nc1ccccc1C#N 1626a_100000211148_100000185746 [0,2,0,0,0,0|1,0,1]=4 5726 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,2,0,0,0,0|1,0,1]=4 5727 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,2,0,0,0,0|1,0,1]=4 5728 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,2,0,0,0,0|1,0,1]=4 5729 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,2,0,0,0,0|1,0,1]=4 5730 B13R1.91 C=CC(=O)Nc1ccccc1CO 22a_100000212039_100000185746 [0,2,0,0,0,0|0,0,1]=3 5731 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,2,0,0,0,0|0,0,1]=3 5732 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,2,0,0,0,0|0,0,1]=3 5733 B13R1.91 C=CC(=O)Nc1ccccc1SC 22a_100000211160_100000185746 [0,2,0,0,0,0|0,1,1]=4 5734 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [0,2,0,0,0,0|2,0,0]=4 5735 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [0,2,0,0,0,0|2,0,0]=4 5736 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [0,2,0,0,0,0|1,0,0]=3 5737 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [0,2,0,0,0,0|1,0,0]=3 5738 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [0,2,0,0,0,0|1,0,0]=3 5739 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [0,2,0,0,0,0|1,0,0]=3 5740 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,2,0,0,0,0|1,0,0]=3 5741 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,2,0,0,0,0|1,0,0]=3 5742 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [0,2,0,0,0,0|1,0,0]=3 5743 B13R1.91 CC(CO)Nc1ccccc1CO 34a_100000212039_100012180447 [0,2,0,0,0,0|0,0,2]=4 5744 B13R1.91 CCC(=O)Cc1ccccc1C#N 1458a_100000210414_100000181865 [0,2,0,0,0,0|2,0,0]=4 5745 B13R1.91 CCC(=O)Cc1ccccc1C#N 1458a_100000238613_100000210202 [0,2,0,0,0,0|2,0,0]=4 5746 B13R1.91 CCC(=O)Cc1ccccc1C=O 1458a_100000210414_200009853537 [0,2,0,0,0,0|1,0,1]=4 5747 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [0,2,0,0,0,0|1,0,0]=3 5748 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,2,0,0,0,0|1,0,0]=3 5749 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,2,0,0,0,0|1,0,0]=3 5750 B13R1.91 CCC(=O)Cc1ccccc1SC 1458a_100000210414_100000699184 [0,2,0,0,0,0|1,1,0]=4 5751 B13R1.91 CCC(=O)Cc1cccnc1OC 1458a_100000210414_100020631285 [0,2,0,0,0,0|2,0,0]=4 5752 B13R1.91 CCC(=O)Cc1ccncc1OC 1458a_100000210414_100020635607 [0,2,0,0,0,0|2,0,0]=4 5753 B13R1.91 CCC(=O)Nc1ccccc1C#N 11a_100000211148_100000210414 [0,2,0,0,0,0|1,0,0]=3 5754 B13R1.91 CCC(=O)Nc1ccccc1C#N 1626a_100000211148_100000210414 [0,2,0,0,0,0|1,0,0]=3 5755 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [0,2,0,0,0,0|1,0,0]=3 5756 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [0,2,0,0,0,0|1,0,0]=3 5757 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [0,2,0,0,0,0|1,0,0]=3 5758 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [0,2,0,0,0,0|1,0,0]=3 5759 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,2,0,0,0,0|0,0,0]=2 5760 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,2,0,0,0,0|0,0,0]=2 5761 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,2,0,0,0,0|0,0,0]=2 5762 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,2,0,0,0,0|0,0,0]=2 5763 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,2,0,0,0,0|0,0,0]=2 5764 B13R1.91 CCC(=O)Nc1ccccc1SC 11a_100000211160_100000210414 [0,2,0,0,0,0|0,1,0]=3 5765 B13R1.91 CCC(=O)Nc1ccccc1SC 22a_100000211160_100000210414 [0,2,0,0,0,0|0,1,0]=3 5766 B13R1.91 CCC(=O)Nc1ccccc1SC 62a_200000210301_100000153536 [0,2,0,0,0,0|0,1,0]=3 5767 B13R1.91 CCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153536 [0,2,0,0,0,0|0,1,0]=3 5768 B13R1.91 CCC(C)Nc1ccccc1CO 34a_100000212039_100011215416 [0,2,0,0,0,0|1,0,1]=4 5769 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,2,0,0,0,0|1,0,1]=4 5770 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,2,0,0,0,0|1,0,0]=3 5771 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,2,0,0,0,0|1,0,0]=3 5772 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,2,0,0,0,0|1,0,0]=3 5773 B13R1.91 CNC(=O)Cc1ccccc1C#N 11a_106832991635_100000238613 [0,2,0,0,0,0|2,0,0]=4 5774 B13R1.91 CNC(=O)Cc1ccccc1C#N 527a_100102657272_100000238613 [0,2,0,0,0,0|2,0,0]=4 5775 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,2,0,0,0,0|2,0,0]=4 5777 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,2,0,0,0,0|1,0,0]=3 5780 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,2,0,0,0,0|1,0,0]=3 5781 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,2,0,0,0,0|1,0,0]=3 5782 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,2,0,0,0,0|1,0,0]=3 5783 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,2,0,0,0,0|1,1,0]=4 5784 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,2,0,0,0,0|1,1,0]=4 5785 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,2,0,0,0,0|1,1,0]=4 5786 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,2,0,0,0,0|1,1,0]=4 5787 B13R1.91 CNC(=O)Nc1ccccc1C#N 2430a_100000211148_100102657272 [0,2,0,0,0,0|1,0,0]=3 5788 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,2,0,0,0,0|0,0,0]=2 5789 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,2,0,0,0,0|0,1,0]=3 5790 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,2,0,0,0,0|0,1,0]=3 5791 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [0,2,0,0,0,0|1,0,0]=3 5792 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [0,2,0,0,0,0|1,0,0]=3 5793 B13R1.91 COC(=O)Cc1ccccc1SC 62a_100000699816_200000210301 [0,2,0,0,0,0|1,1,0]=4 5794 B13R1.91 COC(=O)Cc1ccccc1SC 62a_200000210301_100000699816 [0,2,0,0,0,0|1,1,0]=4 5795 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_100000699816_200025704644 [0,2,0,0,0,0|1,1,0]=4 5796 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100000699816 [0,2,0,0,0,0|1,1,0]=4 5797 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [0,2,0,0,0,0|0,1,0]=3 5798 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [0,2,0,0,0,0|0,1,0]=3 5799 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,2,0,0,0,0|1,0,0]=3 5800 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,2,0,0,0,0|1,0,0]=3 5801 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,2,0,0,0,0|2,0,0]=4 5802 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,2,0,0,0,0|0,0,0]=2 5803 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,2,0,0,0,0|0,0,0]=2 5804 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,2,0,0,0,0|0,0,0]=2 5805 B13R1.91 COc1ccccc1NC(C)CO 34a_100000210025_100012180447 [0,2,0,0,0,0|0,0,2]=4 5806 B13R1.91 COc1cnccc1CC(=O)CO 1458a_100000210174_100020635607 [0,2,0,0,0,0|2,0,0]=4 5807 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,2,0,0,0,0|2,0,0]=4 5808 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,2,0,0,0,0|1,1,0]=4 5809 B13R1.91 CSc1ccccc1NC(=O)CN 62a_200000210301_100000683505 [0,2,0,0,0,0|0,1,0]=3 5810 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,2,0,0,0,0|0,1,0]=3 5811 B13R1.91 N#Cc1ccccc1CC(=O)CF 1458a_100000238613_100015361967 [0,2,0,0,0,0|2,0,0]=4 5812 B13R1.91 N#Cc1ccccc1CC(=O)CO 1458a_100000210174_100000181865 [0,2,0,0,0,0|2,0,0]=4 5813 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [0,2,0,0,0,0|1,0,0]=3 5814 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,2,0,0,0,0|0,0,0]=2 5815 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,2,0,0,0,0|1,0,1]=4 5816 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,2,0,0,0,0|2,0,0]=4 5817 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,2,0,0,0,0|0,0,0]=2 5818 B13R1.91 [13CH3]Sc1ccccc1NC(=O)CN 62a_200025704644_100000683505 [0,2,0,0,0,0|0,1,0]=3 5819 B13R1.115 CC(=Cc1cccc(c1CO)F)C 271570a_100102525489_100012355691 [0,2,0,0,0,0|2,0,0]=4 5820 B13R1.115 CC(=Cc1cccc(c1CO)N)C 271570a_100102525489_100000747656 [0,2,0,0,0,0|2,0,0]=4 5821 B13R1.115 CC(=O)Cc1cccc(c1C#N)Br 1458a_100000070787_200010145453 [0,2,0,0,0,0|2,0,0]=4 5822 B13R1.115 CC(=O)Cc1cccc(c1C#N)F 1458a_100000070787_100000707650 [0,2,0,0,0,0|2,0,0]=4 5823 B13R1.115 CC(=O)Nc1cccc(c1C#N)Br 11a_100011935054_100015343762 [0,2,0,0,0,0|1,0,0]=3 5824 B13R1.115 CC(=O)Nc1cccc(c1C#N)Br 1626a_100011935054_100015343762 [0,2,0,0,0,0|1,0,0]=3 5825 B13R1.115 CC(=O)Nc1cccc(c1C#N)C 11a_100000763283_100015343762 [0,2,0,0,0,0|1,0,0]=3 5826 B13R1.115 CC(=O)Nc1cccc(c1C#N)C 1626a_100000763283_100015343762 [0,2,0,0,0,0|1,0,0]=3 5827 B13R1.115 CC(=O)Nc1cccc(c1C#N)Cl 11a_100000236969_100015343762 [0,2,0,0,0,0|1,0,0]=3 5828 B13R1.115 CC(=O)Nc1cccc(c1C#N)Cl 1626a_100000236969_100015343762 [0,2,0,0,0,0|1,0,0]=3 5829 B13R1.115 CC(=O)Nc1cccc(c1C#N)F 11a_100000236971_100015343762 [0,2,0,0,0,0|1,0,0]=3 5830 B13R1.115 CC(=O)Nc1cccc(c1C#N)F 1626a_100000236971_100015343762 [0,2,0,0,0,0|1,0,0]=3 5831 B13R1.115 CC(=O)Nc1cccc(c1CO)Br 527a_100000747656_100103153847 [0,2,0,0,0,0|0,0,0]=2 5832 B13R1.115 CC(=O)Nc1cccc(c1CO)F 22a_100011846719_100000070787 [0,2,0,0,0,0|0,0,0]=2 5833 B13R1.115 CC(C)Nc1cccc(c1CO)Br 34a_100000747656_100000210206 [0,2,0,0,0,0|1,0,1]=4 5834 B13R1.115 CC(C)Nc1cccc(c1CO)Cl 34a_100011916388_100000210206 [0,2,0,0,0,0|1,0,1]=4 5835 B13R1.115 CC(C)Nc1cccc(c1CO)F 34a_100011846719_100000210206 [0,2,0,0,0,0|1,0,1]=4 5836 B13R1.115 COc1c(cccc1C=C(C)C)Br 271570a_100102525489_100010146560 [0,2,0,0,0,0|2,0,0]=4 5837 B13R1.115 COc1c(cccc1C=C(C)C)C 271570a_100102525489_100010141385 [0,2,0,0,0,0|2,0,0]=4 5838 B13R1.115 COc1c(cccc1C=C(C)C)Cl 271570a_100102525489_100010147678 [0,2,0,0,0,0|2,0,0]=4 5839 B13R1.115 COc1c(cccc1C=C(C)C)F 271570a_100102525489_100009816759 [0,2,0,0,0,0|2,0,0]=4 5840 B13R1.115 COc1c(cccc1C=C(C)C)N 271570a_100102525489_100011935253 [0,2,0,0,0,0|2,0,0]=4 5841 B13R1.115 COc1c(cccc1C=C(C)C)O 271570a_100102525489_100010234590 [0,2,0,0,0,0|2,0,0]=4 5842 B13R1.115 COc1c(cccc1CC(=O)C)Br 1458a_100000070787_100011470457 [0,2,0,0,0,0|1,0,0]=3 5843 B13R1.115 COc1c(cccc1CC(=O)C)C 1458a_100000070787_100012349798 [0,2,0,0,0,0|1,0,0]=3 5844 B13R1.115 COc1c(cccc1CC(=O)C)F 1458a_100000061543_200000210301 [0,2,0,0,0,0|1,0,0]=3 5845 B13R1.115 COc1c(cccc1CC(=O)[13CH3])F 1458a_100000061543_200025704644 [0,2,0,0,0,0|1,0,0]=3 5846 B13R1.115 COc1c(cccc1NC(=O)C)Br 11a_100011935253_100015343762 [0,2,0,0,0,0|0,0,0]=2 5847 B13R1.115 COc1c(cccc1NC(=O)C)Br 1626a_100011935253_100015343762 [0,2,0,0,0,0|0,0,0]=2 5848 B13R1.115 COc1c(cccc1NC(=O)C)Br 22a_100011935253_100000070787 [0,2,0,0,0,0|0,0,0]=2 5849 B13R1.115 COc1c(cccc1NC(=O)C)Br 527a_100011935253_100103153847 [0,2,0,0,0,0|0,0,0]=2 5850 B13R1.115 COc1c(cccc1NC(=O)C)C 11a_100012017360_100015343762 [0,2,0,0,0,0|0,0,0]=2 5851 B13R1.115 COc1c(cccc1NC(=O)C)C 1626a_100012017360_100015343762 [0,2,0,0,0,0|0,0,0]=2 5852 B13R1.115 COc1c(cccc1NC(=O)C)C 22a_100012017360_100000070787 [0,2,0,0,0,0|0,0,0]=2 5853 B13R1.115 COc1c(cccc1NC(=O)C)C 527a_100012017360_100103153847 [0,2,0,0,0,0|0,0,0]=2 5854 B13R1.115 COc1c(cccc1NC(=O)C)Cl 11a_100000743799_100015343762 [0,2,0,0,0,0|0,0,0]=2 5855 B13R1.115 COc1c(cccc1NC(=O)C)Cl 1626a_100000743799_100015343762 [0,2,0,0,0,0|0,0,0]=2 5856 B13R1.115 COc1c(cccc1NC(=O)C)Cl 22a_100000743799_100000070787 [0,2,0,0,0,0|0,0,0]=2 5857 B13R1.115 COc1c(cccc1NC(=O)C)Cl 527a_100000743799_100103153847 [0,2,0,0,0,0|0,0,0]=2 5858 B13R1.115 COc1c(cccc1NC(=O)C)F 11a_100011215007_100015343762 [0,2,0,0,0,0|0,0,0]=2 5859 B13R1.115 COc1c(cccc1NC(=O)C)F 1626a_100011215007_100015343762 [0,2,0,0,0,0|0,0,0]=2 5860 B13R1.115 COc1c(cccc1NC(=O)C)F 22a_100011215007_100000070787 [0,2,0,0,0,0|0,0,0]=2 5861 B13R1.115 COc1c(cccc1NC(=O)C)F 527a_100011215007_100103153847 [0,2,0,0,0,0|0,0,0]=2 5862 B13R1.115 COc1c(cccc1NC(C)C)Br 34a_100011935253_100000210206 [0,2,0,0,0,0|1,0,1]=4 5863 B13R1.115 COc1c(cccc1NC(C)C)C 34a_100012017360_100000210206 [0,2,0,0,0,0|1,0,1]=4 5864 B13R1.115 COc1c(cccc1NC(C)C)Cl 2230a_100000743799_100000210206 [0,2,0,0,0,0|1,0,1]=4 5865 B13R1.115 COc1c(cccc1NC(C)C)Cl 34a_100000743799_100000210206 [0,2,0,0,0,0|1,0,1]=4 5866 B13R1.115 COc1c(cccc1NC(C)C)F 34a_100011215007_100000210206 [0,2,0,0,0,0|1,0,1]=4 5867 B13R1.115 COc1c(ccnc1CC(=O)C)Cl 1458a_100000070787_100015371371 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.380 C=C=Cc1ccccc1CC(=O)C 271570a_100015277604_100011350739 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.380 C=C=Cc1ccccc1NC(=O)C 271570a_100015277604_100000153524 [0,2,0,0,0,0|1,0,0]=3 5870 B13R1.380 C=C=Cc1ccccc1NC(=O)N 271570a_100015277604_100000742221 [0,2,0,0,0,0|2,0,0]=4 5871 B13R1.380 C=C=Cc1ccccc1OC(=O)C 271570a_100015277604_100000051690 [0,2,0,0,0,0|2,0,0]=4 5872 B13R1.380 C=C=Cc1cnccc1NC(=O)C 271570a_100015277604_100016132053 [0,2,0,0,0,0|2,0,0]=4 5873 B13R1.380 C=CCc1ccccc1NC(=O)C 11a_200138433279_100015343762 [0,2,0,0,0,0|1,0,0]=3 5874 B13R1.380 C=CCc1ccccc1NC(=O)C 1626a_200138433279_100015343762 [0,2,0,0,0,0|1,0,0]=3 5875 B13R1.380 C=CCc1ccccc1NC(=O)C 22a_200138433279_100000070787 [0,2,0,0,0,0|1,0,0]=3 5876 B13R1.380 C=CCc1ccccc1NC(=O)C 527a_200138433279_100103153847 [0,2,0,0,0,0|1,0,0]=3 5877 B13R1.380 CC(=Cc1ccccc1CCO)C 271570a_100102525489_100000731337 [0,2,0,0,0,0|2,0,0]=4 5878 B13R1.380 CC(=O)Cc1ccccc1CC#N 1458a_100000070787_100010402002 [0,2,0,0,0,0|2,0,0]=4 5879 B13R1.380 CC(=O)Cc1ccccc1SCF 62a_100011350739_100015361967 [0,2,0,0,0,0|1,1,0]=4 5880 B13R1.380 CC(=O)Cc1ccccc1SCF 62a_100015361967_100011350739 [0,2,0,0,0,0|1,1,0]=4 5881 B13R1.380 CC(=O)Nc1ccccc1CC#N 11a_100000032805_100015343762 [0,2,0,0,0,0|1,0,0]=3 5882 B13R1.380 CC(=O)Nc1ccccc1CC#N 1626a_100000032805_100015343762 [0,2,0,0,0,0|1,0,0]=3 5883 B13R1.380 CC(=O)Nc1ccccc1CC#N 22a_100000032805_100000070787 [0,2,0,0,0,0|1,0,0]=3 5884 B13R1.380 CC(=O)Nc1ccccc1CCO 22a_100011215289_100000070787 [0,2,0,0,0,0|0,0,0]=2 5885 B13R1.380 CC(=O)Nc1ccccc1CCO 527a_100011215289_100103153847 [0,2,0,0,0,0|0,0,0]=2 5886 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 34a_100000192217_200025704644 [0,2,0,0,0,0|0,0,0]=2 5887 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 7a_100000192217_200025704644 [0,2,0,0,0,0|0,0,0]=2 5888 B13R1.380 CC(=O)Nc1ccccc1NCF 34a_100011193560_100015361967 [0,2,0,0,0,0|1,0,0]=3 5889 B13R1.380 CC(=O)Nc1ccccc1OCF 34a_100000185124_100015361967 [0,2,0,0,0,0|0,0,0]=2 5890 B13R1.380 CC(=O)Nc1ccccc1OCF 7a_100000185124_100015361967 [0,2,0,0,0,0|0,0,0]=2 5891 B13R1.380 CC(=O)Nc1ccccc1SCF 62a_100015361967_100000153524 [0,2,0,0,0,0|0,1,0]=3 5892 B13R1.380 CC(=O)Nc1ccncc1SCF 62a_100015361967_100016132053 [0,2,0,0,0,0|1,1,0]=4 5893 B13R1.380 CC(=O)Nc1ncccc1OCF 34a_200000022013_100015361967 [0,2,0,0,0,0|1,0,0]=3 5894 B13R1.380 CC(=O)Nc1ncccc1OCF 7a_200000022013_100015361967 [0,2,0,0,0,0|1,0,0]=3 5895 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100000051690_100015361967 [0,2,0,0,0,0|1,1,0]=4 5896 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100015361967_100000051690 [0,2,0,0,0,0|1,1,0]=4 5897 B13R1.380 CC(C)Nc1ccccc1CCO 2230a_100011215289_100000210206 [0,2,0,0,0,0|1,0,1]=4 5898 B13R1.380 CC(C)Nc1ccccc1CCO 34a_100011215289_100000210206 [0,2,0,0,0,0|1,0,1]=4 5899 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [0,2,0,0,0,0|2,0,0]=4 5900 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,2,0,0,0,0|1,0,0]=3 5901 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,2,0,0,0,0|2,0,0]=4 5902 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [0,2,0,0,0,0|2,0,0]=4 5903 B13R1.380 CC=Cc1cnccc1NC(=O)C 271570a_100016259895_100016132053 [0,2,0,0,0,0|2,0,0]=4 5904 B13R1.380 CCCc1ccccc1NC(=O)C 11a_100000737634_100015343762 [0,2,0,0,0,0|1,0,0]=3 5905 B13R1.380 CCCc1ccccc1NC(=O)C 1626a_100000737634_100015343762 [0,2,0,0,0,0|1,0,0]=3 5906 B13R1.380 CCCc1ccccc1NC(=O)C 22a_100000737634_100000070787 [0,2,0,0,0,0|1,0,0]=3 5907 B13R1.380 CCCc1ccccc1NC(=O)C 527a_100000737634_100103153847 [0,2,0,0,0,0|1,0,0]=3 5908 B13R1.380 CCNc1ccccc1NC(=O)C 34a_100011193560_100000210202 [0,2,0,0,0,0|1,0,0]=3 5909 B13R1.380 CCOc1ccccc1C=C(C)C 271570a_100102525489_100000230754 [0,2,0,0,0,0|2,0,0]=4 5910 B13R1.380 CCOc1ccccc1CC(=O)C 1458a_100011247627_200000210301 [0,2,0,0,0,0|1,0,0]=3 5911 B13R1.380 CCOc1ccccc1CC(=O)[13CH3] 1458a_100011247627_200025704644 [0,2,0,0,0,0|1,0,0]=3 5912 B13R1.380 CCOc1ccccc1NC(=O)C 11a_100000211218_100015343762 [0,2,0,0,0,0|0,0,0]=2 5913 B13R1.380 CCOc1ccccc1NC(=O)C 1626a_100000211218_100015343762 [0,2,0,0,0,0|0,0,0]=2 5914 B13R1.380 CCOc1ccccc1NC(=O)C 22a_100000211218_100000070787 [0,2,0,0,0,0|0,0,0]=2 5915 B13R1.380 CCOc1ccccc1NC(=O)C 34a_100000185124_100000210202 [0,2,0,0,0,0|0,0,0]=2 5916 B13R1.380 CCOc1ccccc1NC(=O)C 7a_100000185124_100000210202 [0,2,0,0,0,0|0,0,0]=2 5917 B13R1.380 CCOc1ccccc1NC(=S)N 7a_200000011649_100000210202 [0,2,0,0,0,0|1,1,0]=4 5918 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,2,0,0,0,0|1,0,1]=4 5919 B13R1.380 CCOc1cccnc1NC(=O)C 34a_200000022013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5920 B13R1.380 CCOc1cccnc1NC(=O)C 7a_200000022013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5921 B13R1.380 CCSc1ccccc1CC(=O)C 62a_100000210202_100011350739 [0,2,0,0,0,0|1,1,0]=4 5922 B13R1.380 CCSc1ccccc1CC(=O)C 62a_100011350739_100000210202 [0,2,0,0,0,0|1,1,0]=4 5923 B13R1.380 CCSc1ccccc1NC(=O)C 11a_100011223125_100015343762 [0,2,0,0,0,0|0,1,0]=3 5924 B13R1.380 CCSc1ccccc1NC(=O)C 1626a_100011223125_100015343762 [0,2,0,0,0,0|0,1,0]=3 5925 B13R1.380 CCSc1ccccc1NC(=O)C 22a_100011223125_100000070787 [0,2,0,0,0,0|0,1,0]=3 5926 B13R1.380 CCSc1ccccc1NC(=O)C 62a_100000210202_100000153524 [0,2,0,0,0,0|0,1,0]=3 5927 B13R1.380 CCSc1ccccc1NC(=O)N 62a_100000210202_100000742221 [0,2,0,0,0,0|1,1,0]=4 5928 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000051690_100000210202 [0,2,0,0,0,0|1,1,0]=4 5929 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000210202_100000051690 [0,2,0,0,0,0|1,1,0]=4 5930 B13R1.380 CCSc1cnccc1NC(=O)C 62a_100000210202_100016132053 [0,2,0,0,0,0|1,1,0]=4 5931 B13R1.380 CNCc1ccccc1OC(=O)C 270004a_106832991635_100009864558 [0,2,0,0,0,0|2,0,0]=4 5932 B13R1.380 COCc1ccccc1C=C(C)C 271570a_100102525489_100011493684 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.380 COCc1ccccc1NC(=O)C 34a_100000192217_200000210301 [0,2,0,0,0,0|0,0,0]=2 5934 B13R1.380 COCc1ccccc1NC(=O)C 7a_100000192217_200000210301 [0,2,0,0,0,0|0,0,0]=2 5935 B13R1.380 NC(=O)Nc1ccccc1SCF 62a_100015361967_100000742221 [0,2,0,0,0,0|1,1,0]=4 5936 B13R1.380 NC(=S)Nc1ccccc1OCF 7a_200000011649_100015361967 [0,2,0,0,0,0|1,1,0]=4 5937 B13R1.589 C=C(C)c1ccccc1CC(=O)C 271570a_100000694244_100011350739 [0,2,0,0,0,0|2,0,0]=4 5938 B13R1.589 C=C(C)c1ccccc1NC(=O)C 11a_100000037685_100015343762 [0,2,0,0,0,0|1,0,0]=3 5939 B13R1.589 C=C(C)c1ccccc1NC(=O)C 1626a_100000037685_100015343762 [0,2,0,0,0,0|1,0,0]=3 5940 B13R1.589 C=C(C)c1ccccc1NC(=O)C 22a_100000037685_100000070787 [0,2,0,0,0,0|1,0,0]=3 5941 B13R1.589 C=C(C)c1ccccc1NC(=O)C 271570a_100000694244_100000153524 [0,2,0,0,0,0|1,0,0]=3 5942 B13R1.589 C=C(C)c1ccccc1NC(=O)N 271570a_100000694244_100000742221 [0,2,0,0,0,0|2,0,0]=4 5943 B13R1.589 C=C(C)c1ccccc1OC(=O)C 271570a_100000694244_100000051690 [0,2,0,0,0,0|2,0,0]=4 5944 B13R1.589 C=C(C)c1cnccc1NC(=O)C 271570a_100000694244_100016132053 [0,2,0,0,0,0|2,0,0]=4 5945 B13R1.589 CC(=Cc1ccccc1B(O)O)C 271570a_100102525489_100000693059 [0,2,0,0,0,0|2,0,0]=4 5946 B13R1.589 CC(=Cc1ccccc1C(C)O)C 271570a_100102525489_100000702211 [0,2,0,0,0,0|2,0,0]=4 5947 B13R1.589 CC(=O)Cc1ccccc1B(O)O 1458a_100000070787_100009814197 [0,2,0,0,0,0|1,0,0]=3 5948 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000070787_100000181388 [0,2,0,0,0,0|1,0,1]=4 5949 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_200000210301 [0,2,0,0,0,0|1,0,1]=4 5950 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,2,0,0,0,0|0,0,1]=3 5951 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,2,0,0,0,0|0,0,1]=3 5952 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,2,0,0,0,0|0,0,1]=3 5953 B13R1.589 CC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100015343762 [0,2,0,0,0,0|0,1,0]=3 5954 B13R1.589 CC(=O)Nc1ccccc1C(C)C 11a_100000210643_100015343762 [0,2,0,0,0,0|1,0,0]=3 5955 B13R1.589 CC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100015343762 [0,2,0,0,0,0|1,0,0]=3 5956 B13R1.589 CC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000070787 [0,2,0,0,0,0|1,0,0]=3 5957 B13R1.589 CC(=O)Nc1ccccc1C(C)C 527a_100000210643_100103153847 [0,2,0,0,0,0|1,0,0]=3 5958 B13R1.589 CC(=O)Nc1ccccc1C(F)F 11a_100000734540_100015343762 [0,2,0,0,0,0|1,0,0]=3 5959 B13R1.589 CC(=O)Nc1ccccc1C(F)F 1626a_100000734540_100015343762 [0,2,0,0,0,0|1,0,0]=3 5960 B13R1.589 CC(=O)Nc1ccccc1C(F)F 22a_100000734540_100000070787 [0,2,0,0,0,0|1,0,0]=3 5961 B13R1.589 CC(=O)Nc1ccccc1N(C)C 11a_100000737595_100015343762 [0,2,0,0,0,0|1,0,0]=3 5962 B13R1.589 CC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100015343762 [0,2,0,0,0,0|1,0,0]=3 5963 B13R1.589 CC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000070787 [0,2,0,0,0,0|1,0,0]=3 5964 B13R1.589 CC(=O)Nc1ccccc1N(C)C 527a_100000737595_100103153847 [0,2,0,0,0,0|1,0,0]=3 5965 B13R1.589 CC(C)Nc1ccccc1C(C)O 2230a_100011405641_100000210206 [0,2,0,0,0,0|1,0,1]=4 5966 B13R1.589 [13CH3]C(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_200025704644 [0,2,0,0,0,0|1,0,1]=4 5967 B13R1.622 C=Cc1ccccc1NS(=O)(=O)C 271570a_100011290941_100000165598 [0,2,0,0,0,0|2,0,0]=4 5968 B13R1.622 CC(C)(C)Nc1ccccc1CO 34a_100000212039_100000210625 [0,2,0,0,0,0|1,0,1]=4 5969 B13R1.622 CNc1ccccc1NS(=O)(=O)C 34a_100011193664_200000210301 [0,2,0,0,0,0|2,0,0]=4 5970 B13R1.622 COc1ccccc1NC(C)(C)C 34a_100000210025_100000210625 [0,2,0,0,0,0|1,0,1]=4 5971 B13R1.622 COc1ccccc1NS(=O)(=O)C 40a_100000210025_100000738038 [0,2,0,0,0,0|1,0,0]=3 5972 B13R1.622 CS(=O)(=O)Nc1ccccc1N[13CH3] 34a_100011193664_200025704644 [0,2,0,0,0,0|2,0,0]=4 5973 B13R1.622 CS(=O)(=O)Nc1ccccc1S[13CH3] 62a_100000165598_200025704644 [0,2,0,0,0,0|1,1,0]=4 5974 B13R1.622 CS(=O)(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000165598 [0,2,0,0,0,0|1,1,0]=4 5975 B13R1.622 CSc1ccccc1NS(=O)(=O)C 62a_100000165598_200000210301 [0,2,0,0,0,0|1,1,0]=4 5976 B13R1.622 CSc1ccccc1NS(=O)(=O)C 62a_200000210301_100000165598 [0,2,0,0,0,0|1,1,0]=4 5977 B13R1.2135 CC(=Cc1c(cccc1C#N)O)C 271570a_100102525489_100009818990 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.2135 CC(=Cc1c(cccc1C=O)O)C 271570a_100102525489_100009816417 [0,2,0,0,0,0|2,0,0]=4 5979 B13R1.2135 CC(=Cc1c(cccc1CO)Br)C 271570a_100102525489_100010146604 [0,2,0,0,0,0|2,0,0]=4 5980 B13R1.2135 CC(=Cc1c(cccc1CO)C)C 271570a_100102525489_100011659289 [0,2,0,0,0,0|2,0,0]=4 5981 B13R1.2135 CC(=Cc1c(cccc1CO)F)C 271570a_100102525489_100000692438 [0,2,0,0,0,0|2,0,0]=4 5982 B13R1.2135 CC(=O)Cc1c(cccc1C#N)Br 1458a_100000070787_100010145454 [0,2,0,0,0,0|2,0,0]=4 5983 B13R1.2135 CC(=O)Cc1c(cccc1C#N)Cl 1458a_100000070787_100010254528 [0,2,0,0,0,0|2,0,0]=4 5984 B13R1.2135 CC(=O)Cc1c(cccc1C#N)F 1458a_100000070787_100010254529 [0,2,0,0,0,0|2,0,0]=4 5985 B13R1.2135 CC(=O)Cc1c(cccc1C=O)F 1458a_100000070787_100010132767 [0,2,0,0,0,0|1,0,1]=4 5986 B13R1.2135 CC(=O)Nc1c(cccc1C#N)Br 1626a_100011934406_100015343762 [0,2,0,0,0,0|1,0,0]=3 5987 B13R1.2135 CC(=O)Nc1c(cccc1C#N)C 11a_100011826843_100015343762 [0,2,0,0,0,0|1,0,0]=3 5988 B13R1.2135 CC(=O)Nc1c(cccc1C#N)C 1626a_100011826843_100015343762 [0,2,0,0,0,0|1,0,0]=3 5989 B13R1.2135 CC(=O)Nc1c(cccc1C#N)Cl 1626a_100011830384_100015343762 [0,2,0,0,0,0|1,0,0]=3 5990 B13R1.2135 CC(=O)Nc1c(cccc1C#N)F 11a_100011219409_100015343762 [0,2,0,0,0,0|1,0,0]=3 5991 B13R1.2135 CC(=O)Nc1c(cccc1C#N)F 1626a_100011219409_100015343762 [0,2,0,0,0,0|1,0,0]=3 5992 B13R1.2135 CC(=O)Nc1c(cccc1C#N)I 1626a_100000690598_100015343762 [0,2,0,0,0,0|1,0,0]=3 5993 B13R1.2135 CC(=O)Nc1c(cccc1CO)C 22a_100011215590_100000070787 [0,2,0,0,0,0|0,0,0]=2 5994 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 34a_100000103797_200025704644 [0,2,0,0,0,0|0,0,0]=2 5995 B13R1.2135 CC(=O)Nc1c(cccc1O[13CH3])C 7a_100000103797_200025704644 [0,2,0,0,0,0|0,0,0]=2 5996 B13R1.2135 CC(C)Nc1c(cccc1CO)Cl 34a_100012182729_100000210206 [0,2,0,0,0,0|1,0,1]=4 5997 B13R1.2135 CC(C)Nc1c(cccc1CO)F 34a_100000692437_100000210206 [0,2,0,0,0,0|1,0,1]=4 5998 B13R1.2135 CCc1cccc(c1NC(=O)C)C 11a_100000210048_100015343762 [0,2,0,0,0,0|1,0,0]=3 5999 B13R1.2135 CCc1cccc(c1NC(=O)C)C 1626a_100000210048_100015343762 [0,2,0,0,0,0|1,0,0]=3 6000 B13R1.2135 CCc1cccc(c1NC(=O)C)C 22a_100000210048_100000070787 [0,2,0,0,0,0|1,0,0]=3 6001 B13R1.2135 COc1cccc(c1C=C(C)C)Br 271570a_100102525489_100010131421 [0,2,0,0,0,0|2,0,0]=4 6002 B13R1.2135 COc1cccc(c1C=C(C)C)F 271570a_100102525489_100000041735 [0,2,0,0,0,0|2,0,0]=4 6003 B13R1.2135 COc1cccc(c1C=C(C)C)N 271570a_100102525489_100000703447 [0,2,0,0,0,0|2,0,0]=4 6004 B13R1.2135 COc1cccc(c1C=C(C)C)O 271570a_100102525489_100010202623 [0,2,0,0,0,0|2,0,0]=4 6005 B13R1.2135 COc1cccc(c1CC(=O)C)Cl 1458a_100000070787_100012349678 [0,2,0,0,0,0|1,0,0]=3 6006 B13R1.2135 COc1cccc(c1CC(=O)C)F 1458a_100000070787_100011216731 [0,2,0,0,0,0|1,0,0]=3 6007 B13R1.2135 COc1cccc(c1CC(=O)C)F 1458a_100011216732_200000210301 [0,2,0,0,0,0|1,0,0]=3 6008 B13R1.2135 COc1cccc(c1CC(=O)[13CH3])F 1458a_100011216732_200025704644 [0,2,0,0,0,0|1,0,0]=3 6009 B13R1.2135 COc1cccc(c1NC(=O)C)Br 11a_100000708083_100015343762 [0,2,0,0,0,0|0,0,0]=2 6010 B13R1.2135 COc1cccc(c1NC(=O)C)Br 1626a_100000708083_100015343762 [0,2,0,0,0,0|0,0,0]=2 6011 B13R1.2135 COc1cccc(c1NC(=O)C)Br 22a_100000708083_100000070787 [0,2,0,0,0,0|0,0,0]=2 6012 B13R1.2135 COc1cccc(c1NC(=O)C)C 11a_100000758225_100015343762 [0,2,0,0,0,0|0,0,0]=2 6013 B13R1.2135 COc1cccc(c1NC(=O)C)C 1626a_100000758225_100015343762 [0,2,0,0,0,0|0,0,0]=2 6014 B13R1.2135 COc1cccc(c1NC(=O)C)C 22a_100000758225_100000070787 [0,2,0,0,0,0|0,0,0]=2 6015 B13R1.2135 COc1cccc(c1NC(=O)C)C 34a_100000103797_200000210301 [0,2,0,0,0,0|0,0,0]=2 6016 B13R1.2135 COc1cccc(c1NC(=O)C)C 7a_100000103797_200000210301 [0,2,0,0,0,0|0,0,0]=2 6017 B13R1.2135 COc1cccc(c1NC(=O)C)Cl 11a_100011309317_100015343762 [0,2,0,0,0,0|0,0,0]=2 6018 B13R1.2135 COc1cccc(c1NC(=O)C)Cl 1626a_100011309317_100015343762 [0,2,0,0,0,0|0,0,0]=2 6019 B13R1.2135 COc1cccc(c1NC(=O)C)Cl 22a_100011309317_100000070787 [0,2,0,0,0,0|0,0,0]=2 6020 B13R1.2135 COc1cccc(c1NC(=O)C)F 11a_100000686744_100015343762 [0,2,0,0,0,0|0,0,0]=2 6021 B13R1.2135 COc1cccc(c1NC(=O)C)F 1626a_100000686744_100015343762 [0,2,0,0,0,0|0,0,0]=2 6022 B13R1.2135 COc1cccc(c1NC(=O)C)F 22a_100000686744_100000070787 [0,2,0,0,0,0|0,0,0]=2 6023 B13R1.2135 COc1cccc(c1NC(=O)C)I 11a_100010253897_100015343762 [0,2,0,0,0,0|0,0,0]=2 6024 B13R1.2135 COc1cccc(c1NC(=O)C)I 1626a_100010253897_100015343762 [0,2,0,0,0,0|0,0,0]=2 6025 B13R1.2135 COc1cccc(c1NC(=O)C)O 22a_100012022766_100000070787 [0,2,0,0,0,0|0,0,0]=2 6026 B13R1.2135 COc1cccc(c1NC(=O)C)O 527a_100012022766_100103153847 [0,2,0,0,0,0|0,0,0]=2 6027 B13R1.2135 COc1cccc(c1NC(C)C)Br 34a_100000708083_100000210206 [0,2,0,0,0,0|1,0,1]=4 6028 B13R1.2135 COc1cccc(c1NC(C)C)C 2230a_100000758225_100000210206 [0,2,0,0,0,0|1,0,1]=4 6029 B13R1.2135 COc1cccc(c1NC(C)C)C 34a_100000758225_100000210206 [0,2,0,0,0,0|1,0,1]=4 6030 B13R1.2135 COc1cccc(c1NC(C)C)Cl 34a_100011309317_100000210206 [0,2,0,0,0,0|1,0,1]=4 6031 B13R1.2135 COc1cccc(c1NC(C)C)F 34a_100000686744_100000210206 [0,2,0,0,0,0|1,0,1]=4 6032 B13R1.2135 COc1cccc(c1NC(C)C)O 34a_100012022766_100000210206 [0,2,0,0,0,0|1,0,1]=4 6033 B13R1.2135 Cc1cccc(c1NC(C)C)CO 34a_100011215590_100000210206 [0,2,0,0,0,0|1,0,1]=4 6034 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)C 271570a_100011290941_100000182586 [0,2,0,0,0,0|1,0,0]=3 6035 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)F 271570a_100011290941_100012558231 [0,2,0,0,0,0|1,0,0]=3 6036 B13R1.3089 C=Cc1ccc(cc1OC(=O)C)F 271570a_100011290941_200015685721 [0,2,0,0,0,0|2,0,0]=4 6037 B13R1.3089 CC(=Cc1cc(ccc1CO)Br)C 271570a_100102525489_100010146605 [0,2,0,0,0,0|2,0,0]=4 6038 B13R1.3089 CC(=Cc1cc(ccc1CO)Cl)C 271570a_100102525489_100000722340 [0,2,0,0,0,0|2,0,0]=4 6039 B13R1.3089 CC(=Cc1cc(ccc1CO)F)C 271570a_100102525489_100000744086 [0,2,0,0,0,0|2,0,0]=4 6040 B13R1.3089 CC(=Cc1cc(ccc1CO)O)C 271570a_100102525489_100010146404 [0,2,0,0,0,0|2,0,0]=4 6041 B13R1.3089 CC(=O)Cc1cc(ccc1C#N)Br 1458a_100000070787_100000718229 [0,2,0,0,0,0|2,0,0]=4 6042 B13R1.3089 CC(=O)Cc1cc(ccc1C#N)F 1458a_100000070787_100000759424 [0,2,0,0,0,0|2,0,0]=4 6043 B13R1.3089 CC(=O)Cc1cc(ccc1C=O)F 1458a_100000070787_100010132768 [0,2,0,0,0,0|1,0,1]=4 6044 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 34a_200010006938_200025704644 [0,2,0,0,0,0|1,0,0]=3 6045 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 7a_200010006938_200025704644 [0,2,0,0,0,0|1,0,0]=3 6046 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)Br 1626a_100000699244_100015343762 [0,2,0,0,0,0|1,0,0]=3 6047 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)C 11a_100011218341_100015343762 [0,2,0,0,0,0|1,0,0]=3 6048 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)C 1626a_100011218341_100015343762 [0,2,0,0,0,0|1,0,0]=3 6049 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)Cl 11a_100000211392_100015343762 [0,2,0,0,0,0|1,0,0]=3 6050 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)Cl 1626a_100000211392_100015343762 [0,2,0,0,0,0|1,0,0]=3 6051 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)F 11a_100011935279_100015343762 [0,2,0,0,0,0|1,0,0]=3 6052 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)F 1626a_100011935279_100015343762 [0,2,0,0,0,0|1,0,0]=3 6053 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [0,2,0,0,0,0|0,0,0]=2 6054 B13R1.3089 CC(=O)Nc1cc(ccc1N[13CH3])Cl 34a_100000749253_200025704644 [0,2,0,0,0,0|1,0,0]=3 6055 B13R1.3089 CC(=O)Nc1cc(ccc1N[13CH3])Cl 7a_100000749253_200025704644 [0,2,0,0,0,0|1,0,0]=3 6056 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [0,2,0,0,0,0|0,0,0]=2 6057 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [0,2,0,0,0,0|0,0,0]=2 6058 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 34a_100000012038_200025704644 [0,2,0,0,0,0|0,0,0]=2 6059 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 7a_100000012038_200025704644 [0,2,0,0,0,0|0,0,0]=2 6060 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 34a_100000070259_200025704644 [0,2,0,0,0,0|0,0,0]=2 6061 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 7a_100000070259_200025704644 [0,2,0,0,0,0|0,0,0]=2 6062 B13R1.3089 CC(=O)Nc1cc(ccc1S[13CH3])C 62a_200025704644_100000182586 [0,2,0,0,0,0|0,1,0]=3 6063 B13R1.3089 CC(=O)Nc1cc(ccc1S[13CH3])F 62a_200025704644_100012558231 [0,2,0,0,0,0|0,1,0]=3 6064 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200015685721_200025704644 [0,2,0,0,0,0|1,1,0]=4 6065 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200025704644_200015685721 [0,2,0,0,0,0|1,1,0]=4 6066 B13R1.3089 CC(C)Nc1cc(ccc1CO)Br 34a_100000718831_100000210206 [0,2,0,0,0,0|1,0,1]=4 6067 B13R1.3089 CC(C)Nc1cc(ccc1CO)Cl 34a_100000238622_100000210206 [0,2,0,0,0,0|1,0,1]=4 6068 B13R1.3089 CC(C)Nc1cc(ccc1CO)F 34a_100011996588_100000210206 [0,2,0,0,0,0|1,0,1]=4 6069 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 11a_100012354963_100015343762 [0,2,0,0,0,0|1,0,0]=3 6070 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 1626a_100012354963_100015343762 [0,2,0,0,0,0|1,0,0]=3 6071 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 22a_100012354963_100000070787 [0,2,0,0,0,0|1,0,0]=3 6072 B13R1.3089 CCc1ccc(cc1NC(=O)C)Br 527a_100012354963_100103153847 [0,2,0,0,0,0|1,0,0]=3 6073 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 11a_200012281948_100015343762 [0,2,0,0,0,0|1,0,0]=3 6074 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 1626a_200012281948_100015343762 [0,2,0,0,0,0|1,0,0]=3 6075 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 22a_200012281948_100000070787 [0,2,0,0,0,0|1,0,0]=3 6076 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl 527a_200012281948_100103153847 [0,2,0,0,0,0|1,0,0]=3 6077 B13R1.3089 CNc1ccc(cc1NC(=O)C)Cl 34a_100000749253_200000210301 [0,2,0,0,0,0|1,0,0]=3 6078 B13R1.3089 CNc1ccc(cc1NC(=O)C)Cl 7a_100000749253_200000210301 [0,2,0,0,0,0|1,0,0]=3 6079 B13R1.3089 COc1ccc(cc1C=C(C)C)Br 271570a_100102525489_100012351588 [0,2,0,0,0,0|2,0,0]=4 6080 B13R1.3089 COc1ccc(cc1C=C(C)C)C 271570a_100102525489_100000186399 [0,2,0,0,0,0|2,0,0]=4 6081 B13R1.3089 COc1ccc(cc1C=C(C)C)Cl 271570a_100102525489_100011215930 [0,2,0,0,0,0|2,0,0]=4 6082 B13R1.3089 COc1ccc(cc1C=C(C)C)F 271570a_100102525489_100000171694 [0,2,0,0,0,0|2,0,0]=4 6083 B13R1.3089 COc1ccc(cc1C=C(C)C)N 271570a_100102525489_100000187427 [0,2,0,0,0,0|2,0,0]=4 6084 B13R1.3089 COc1ccc(cc1C=C(C)C)O 271570a_100102525489_100010084122 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000204665 [0,2,0,0,0,0|1,0,0]=3 6086 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000763194_200000210301 [0,2,0,0,0,0|1,0,0]=3 6087 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 34a_200010006938_200000210301 [0,2,0,0,0,0|1,0,0]=3 6088 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 7a_200010006938_200000210301 [0,2,0,0,0,0|1,0,0]=3 6089 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [0,2,0,0,0,0|1,0,0]=3 6090 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [0,2,0,0,0,0|1,0,0]=3 6091 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100000209806 [0,2,0,0,0,0|1,0,0]=3 6092 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000209874_200000210301 [0,2,0,0,0,0|1,0,0]=3 6093 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000070787_100011830354 [0,2,0,0,0,0|1,0,0]=3 6094 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000707523_200000210301 [0,2,0,0,0,0|1,0,0]=3 6095 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [0,2,0,0,0,0|1,0,0]=3 6096 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Br 1458a_100000763194_200025704644 [0,2,0,0,0,0|1,0,0]=3 6097 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [0,2,0,0,0,0|1,0,0]=3 6098 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Cl 1458a_100000209874_200025704644 [0,2,0,0,0,0|1,0,0]=3 6099 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])F 1458a_100000707523_200025704644 [0,2,0,0,0,0|1,0,0]=3 6100 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 11a_100000743470_100015343762 [0,2,0,0,0,0|0,0,0]=2 6101 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 1626a_100000743470_100015343762 [0,2,0,0,0,0|0,0,0]=2 6102 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 22a_100000743470_100000070787 [0,2,0,0,0,0|0,0,0]=2 6103 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 527a_100000743470_100103153847 [0,2,0,0,0,0|0,0,0]=2 6104 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [0,2,0,0,0,0|0,0,0]=2 6105 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [0,2,0,0,0,0|0,0,0]=2 6106 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [0,2,0,0,0,0|0,0,0]=2 6107 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [0,2,0,0,0,0|0,0,0]=2 6108 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [0,2,0,0,0,0|0,0,0]=2 6109 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [0,2,0,0,0,0|0,0,0]=2 6110 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 11a_100000182114_100015343762 [0,2,0,0,0,0|0,0,0]=2 6111 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 1626a_100000182114_100015343762 [0,2,0,0,0,0|0,0,0]=2 6112 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 22a_100000182114_100000070787 [0,2,0,0,0,0|0,0,0]=2 6113 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 34a_100000012038_200000210301 [0,2,0,0,0,0|0,0,0]=2 6114 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 7a_100000012038_200000210301 [0,2,0,0,0,0|0,0,0]=2 6115 B13R1.3089 COc1ccc(cc1NC(=O)C)F 11a_100000757179_100015343762 [0,2,0,0,0,0|0,0,0]=2 6116 B13R1.3089 COc1ccc(cc1NC(=O)C)F 1626a_100000757179_100015343762 [0,2,0,0,0,0|0,0,0]=2 6117 B13R1.3089 COc1ccc(cc1NC(=O)C)F 22a_100000757179_100000070787 [0,2,0,0,0,0|0,0,0]=2 6118 B13R1.3089 COc1ccc(cc1NC(=O)C)F 527a_100000757179_100103153847 [0,2,0,0,0,0|0,0,0]=2 6119 B13R1.3089 COc1ccc(cc1NC(=O)C)I 11a_100011249504_100015343762 [0,2,0,0,0,0|0,0,0]=2 6120 B13R1.3089 COc1ccc(cc1NC(=O)C)I 1626a_100011249504_100015343762 [0,2,0,0,0,0|0,0,0]=2 6121 B13R1.3089 COc1ccc(cc1NC(=O)C)I 22a_100011249504_100000070787 [0,2,0,0,0,0|0,0,0]=2 6122 B13R1.3089 COc1ccc(cc1NC(=O)C)N 34a_100000070259_200000210301 [0,2,0,0,0,0|0,0,0]=2 6123 B13R1.3089 COc1ccc(cc1NC(=O)C)N 7a_100000070259_200000210301 [0,2,0,0,0,0|0,0,0]=2 6124 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [0,2,0,0,0,0|0,0,0]=2 6125 B13R1.3089 COc1ccc(cc1NC(C)C)Br 34a_100000743470_100000210206 [0,2,0,0,0,0|1,0,1]=4 6126 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [0,2,0,0,0,0|1,0,1]=4 6127 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [0,2,0,0,0,0|1,0,1]=4 6128 B13R1.3089 COc1ccc(cc1NC(C)C)Cl 34a_100000182114_100000210206 [0,2,0,0,0,0|1,0,1]=4 6129 B13R1.3089 COc1ccc(cc1NC(C)C)F 34a_100000757179_100000210206 [0,2,0,0,0,0|1,0,1]=4 6130 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [0,2,0,0,0,0|1,0,0]=3 6131 B13R1.3089 COc1ncc(cc1CC(=O)C)Br 1458a_100000070787_100010065838 [0,2,0,0,0,0|2,0,0]=4 6132 B13R1.3089 CSc1ccc(cc1NC(=O)C)C 62a_200000210301_100000182586 [0,2,0,0,0,0|0,1,0]=3 6133 B13R1.3089 CSc1ccc(cc1NC(=O)C)Cl 11a_100000745667_100015343762 [0,2,0,0,0,0|0,1,0]=3 6134 B13R1.3089 CSc1ccc(cc1NC(=O)C)Cl 1626a_100000745667_100015343762 [0,2,0,0,0,0|0,1,0]=3 6135 B13R1.3089 CSc1ccc(cc1NC(=O)C)Cl 22a_100000745667_100000070787 [0,2,0,0,0,0|0,1,0]=3 6136 B13R1.3089 CSc1ccc(cc1NC(=O)C)F 62a_200000210301_100012558231 [0,2,0,0,0,0|0,1,0]=3 6137 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200000210301_200015685721 [0,2,0,0,0,0|1,1,0]=4 6138 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200015685721_200000210301 [0,2,0,0,0,0|1,1,0]=4 6139 B13R1.3089 Cc1ccc(c(c1)NC(C)C)CO 34a_100000087799_100000210206 [0,2,0,0,0,0|1,0,1]=4 6140 B13R1.163 CC(=C(C)c1ccc(cc1O)Br)C 271570a_200000049429_100012344904 [0,2,0,0,0,0|2,0,0]=4 6141 B13R1.163 CC(=C(C)c1ccc(cc1O)C)C 271570a_200000049429_100012002257 [0,2,0,0,0,0|2,0,0]=4 6142 B13R1.163 CC(=C(C)c1ccc(cc1O)Cl)C 271570a_200000049429_100000050036 [0,2,0,0,0,0|2,0,0]=4 6143 B13R1.163 CC(=C(C)c1ccc(cc1O)F)C 271570a_200000049429_100000690578 [0,2,0,0,0,0|2,0,0]=4 6144 B13R1.163 CC(=C(C)c1ccc(cc1O)O)C 271570a_200000049429_100009813921 [0,2,0,0,0,0|2,0,0]=4 6145 B13R1.163 CC(=O)C(C)c1ccc(cc1Cl)F 1458a_200012359452_200000210301 [0,2,0,0,0,0|2,0,0]=4 6146 B13R1.163 CC(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200000210301 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.163 CC(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200000210301 [0,2,0,0,0,0|2,0,0]=4 6148 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Br 1626a_200000221195_100015343762 [0,2,0,0,0,0|1,0,0]=3 6149 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)C 11a_100000221369_100015343762 [0,2,0,0,0,0|1,0,0]=3 6150 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)C 1626a_100000221369_100015343762 [0,2,0,0,0,0|1,0,0]=3 6151 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Cl 11a_100020633009_100015343762 [0,2,0,0,0,0|1,0,0]=3 6152 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Cl 1626a_100020633009_100015343762 [0,2,0,0,0,0|1,0,0]=3 6153 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)F 11a_100011246292_100015343762 [0,2,0,0,0,0|1,0,0]=3 6154 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)F 1626a_100011246292_100015343762 [0,2,0,0,0,0|1,0,0]=3 6155 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Br 11a_100000221803_100015343762 [0,2,0,0,0,0|1,0,0]=3 6156 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Br 1626a_100000221803_100015343762 [0,2,0,0,0,0|1,0,0]=3 6157 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Cl 11a_114849113698_100015343762 [0,2,0,0,0,0|1,0,0]=3 6158 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Cl 1626a_114849113698_100015343762 [0,2,0,0,0,0|1,0,0]=3 6159 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000070787 [0,2,0,0,0,0|1,0,0]=3 6160 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100103153847 [0,2,0,0,0,0|1,0,0]=3 6161 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Br 11a_100000221650_100015343762 [0,2,0,0,0,0|1,0,0]=3 6162 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Br 1626a_100000221650_100015343762 [0,2,0,0,0,0|1,0,0]=3 6163 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Cl 11a_114849113696_100015343762 [0,2,0,0,0,0|1,0,0]=3 6164 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Cl 1626a_114849113696_100015343762 [0,2,0,0,0,0|1,0,0]=3 6165 B13R1.163 CC(=O)N(C)c1ccc(cc1F)Br 11a_100000743884_100015343762 [0,2,0,0,0,0|1,0,0]=3 6166 B13R1.163 CC(=O)N(C)c1ccc(cc1F)Br 1626a_100000743884_100015343762 [0,2,0,0,0,0|1,0,0]=3 6167 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F 11a_100020633734_100015343762 [0,2,0,0,0,0|1,0,0]=3 6168 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F 1626a_100020633734_100015343762 [0,2,0,0,0,0|1,0,0]=3 6169 B13R1.163 CC(=O)N(C)c1ccc(cc1F)I 11a_114948340911_100015343762 [0,2,0,0,0,0|1,0,0]=3 6170 B13R1.163 CC(=O)N(C)c1ccc(cc1F)I 1626a_114948340911_100015343762 [0,2,0,0,0,0|1,0,0]=3 6171 B13R1.163 CC(C(=O)[13CH3])c1ccc(cc1Cl)F 1458a_200012359452_200025704644 [0,2,0,0,0,0|2,0,0]=4 6172 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200025704644 [0,2,0,0,0,0|2,0,0]=4 6173 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200025704644 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.276 CN(c1ccccc1O)C(C)(C)C 269982a_100000033821_100000210625 [0,2,0,0,0,0|1,0,1]=4 6175 B13R1.276 CN(c1ccccc1O)S(=O)(=O)C 271570a_203496583355_200010363769 [0,2,0,0,0,0|1,0,0]=3 6176 B13R1.696 C=CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000185746 [0,2,0,0,0,0|1,0,1]=4 6177 B13R1.696 C=CC(=O)N(C)c1ccccc1C 1626a_100000219699_100000185746 [0,2,0,0,0,0|1,0,1]=4 6178 B13R1.696 C=CC(=O)N(C)c1ccccc1C 22a_100000219699_100000185746 [0,2,0,0,0,0|1,0,1]=4 6179 B13R1.696 C=CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000185746 [0,2,0,0,0,0|1,0,1]=4 6180 B13R1.696 C=CC(=O)N(C)c1ccccc1F 1626a_100000220357_100000185746 [0,2,0,0,0,0|1,0,1]=4 6181 B13R1.696 C=CC(=O)N(C)c1ccccc1F 22a_100000220357_100000185746 [0,2,0,0,0,0|1,0,1]=4 6182 B13R1.696 C=CC(=O)N(C)c1ccccc1O 22a_100000033821_100000185746 [0,2,0,0,0,0|0,0,1]=3 6183 B13R1.696 C=CC(C)N(C)c1ccccc1O 269982a_100000033821_100011215867 [0,2,0,0,0,0|1,0,1]=4 6184 B13R1.696 CC(C#N)N(C)c1ccccc1O 269982a_100000033821_100000703298 [0,2,0,0,0,0|1,0,1]=4 6185 B13R1.696 CC(C(=O)CF)c1ccccc1Br 1458a_100012359601_100015361967 [0,2,0,0,0,0|2,0,0]=4 6186 B13R1.696 CC(C(=O)CF)c1ccccc1Cl 1458a_100011667492_100015361967 [0,2,0,0,0,0|2,0,0]=4 6187 B13R1.696 CC(C(=O)CO)c1ccccc1Cl 1458a_100000210174_100000181259 [0,2,0,0,0,0|2,0,0]=4 6188 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,2,0,0,0,0|2,0,0]=4 6189 B13R1.696 CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000210202 [0,2,0,0,0,0|2,0,0]=4 6190 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100000210414_100000181259 [0,2,0,0,0,0|2,0,0]=4 6191 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000210202 [0,2,0,0,0,0|2,0,0]=4 6192 B13R1.696 CCC(=O)C(C)c1ccccc1F 1458a_100000210414_200000741388 [0,2,0,0,0,0|2,0,0]=4 6193 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,2,0,0,0,0|2,0,0]=4 6194 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,2,0,0,0,0|2,0,0]=4 6195 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,2,0,0,0,0|2,0,0]=4 6196 B13R1.696 CCC(=O)N(C)c1ccccc1Br 11a_100020606079_100000210414 [0,2,0,0,0,0|1,0,0]=3 6197 B13R1.696 CCC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000210414 [0,2,0,0,0,0|1,0,0]=3 6198 B13R1.696 CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210414 [0,2,0,0,0,0|1,0,0]=3 6199 B13R1.696 CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210414 [0,2,0,0,0,0|1,0,0]=3 6200 B13R1.696 CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210414 [0,2,0,0,0,0|1,0,0]=3 6201 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210414 [0,2,0,0,0,0|1,0,0]=3 6202 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210414 [0,2,0,0,0,0|1,0,0]=3 6203 B13R1.696 CCC(=O)N(C)c1ccccc1F 11a_100000220357_100000210414 [0,2,0,0,0,0|1,0,0]=3 6204 B13R1.696 CCC(=O)N(C)c1ccccc1F 1626a_100000220357_100000210414 [0,2,0,0,0,0|1,0,0]=3 6205 B13R1.696 CCC(=O)N(C)c1ccccc1F 22a_100000220357_100000210414 [0,2,0,0,0,0|1,0,0]=3 6206 B13R1.696 CCC(=O)N(C)c1ccccc1O 22a_100000033821_100000210414 [0,2,0,0,0,0|0,0,0]=2 6207 B13R1.696 CCC(=O)N(C)c1ccccc1O 527a_100000033821_100000210414 [0,2,0,0,0,0|0,0,0]=2 6208 B13R1.696 CCC(C)N(C)c1ccccc1O 269982a_100000033821_100000758301 [0,2,0,0,0,0|1,0,1]=4 6209 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,2,0,0,0,0|1,0,0]=3 6210 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,2,0,0,0,0|0,0,0]=2 6211 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,2,0,0,0,0|0,0,0]=2 6212 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,2,0,0,0,0|2,0,0]=4 6213 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,2,0,0,0,0|2,0,0]=4 6214 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,2,0,0,0,0|2,0,0]=4 6215 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,2,0,0,0,0|2,0,0]=4 6216 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,2,0,0,0,0|2,0,0]=4 6217 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,2,0,0,0,0|2,0,0]=4 6218 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,2,0,0,0,0|2,0,0]=4 6219 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,2,0,0,0,0|2,0,0]=4 6220 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|2,0,0]=4 6221 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|2,0,0]=4 6222 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|2,0,0]=4 6223 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,2,0,0,0,0|1,0,0]=3 6224 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,2,0,0,0,0|1,0,0]=3 6225 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,2,0,0,0,0|1,0,0]=3 6226 B13R1.696 COC(=O)C(=O)c1ccccc1O 271570a_203496583355_200010133017 [0,2,0,0,0,0|1,0,0]=3 6227 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,2,0,0,0,0|1,0,0]=3 6228 B13R1.696 COC(C)N(C)c1ccccc1O 269982a_100000033821_100009879195 [0,2,0,0,0,0|0,0,2]=4 6229 B13R1.696 C[C@H](CO)N(C)c1ccccc1O 269982a_100000033821_100016084084 [0,2,0,0,0,0|0,0,2]=4 6230 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,2,0,0,0,0|1,0,0]=3 6231 B13R1.696 O=C(CF)C(O)c1ccccc1Br 1458a_200011356456_100015361967 [0,2,0,0,0,0|2,0,0]=4 6232 B13R1.696 O=C(CF)C(O)c1ccccc1Cl 1458a_100011217820_100015361967 [0,2,0,0,0,0|2,0,0]=4 6233 B13R1.696 O=C(CF)C(O)c1ccccc1F 1458a_100011219519_100015361967 [0,2,0,0,0,0|2,0,0]=4 6234 B13R1.720 CCC(C(=O)C)c1ccccc1Cl 1458a_100011667493_200000210301 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.720 CCC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667493_200025704644 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.720 CCN(C(=O)C)c1ccccc1Br 11a_114873767003_100015343762 [0,2,0,0,0,0|1,0,0]=3 6237 B13R1.720 CCN(C(=O)C)c1ccccc1Br 1626a_114873767003_100015343762 [0,2,0,0,0,0|1,0,0]=3 6238 B13R1.720 CCN(C(=O)C)c1ccccc1C 11a_100000211084_100015343762 [0,2,0,0,0,0|1,0,0]=3 6239 B13R1.720 CCN(C(=O)C)c1ccccc1C 1626a_100000211084_100015343762 [0,2,0,0,0,0|1,0,0]=3 6240 B13R1.720 CCN(C(=O)C)c1ccccc1C 22a_100000211084_100000070787 [0,2,0,0,0,0|1,0,0]=3 6241 B13R1.720 CCN(C(=O)C)c1ccccc1F 11a_100000220365_100015343762 [0,2,0,0,0,0|1,0,0]=3 6242 B13R1.720 CCN(C(=O)C)c1ccccc1F 1626a_100000220365_100015343762 [0,2,0,0,0,0|1,0,0]=3 6243 B13R1.720 CCN(C(=O)C)c1ccccc1O 22a_103624766699_100000070787 [0,2,0,0,0,0|0,0,0]=2 6244 B13R1.720 CCN(c1ccccc1O)C(C)C 269982a_103624766699_100000210206 [0,2,0,0,0,0|1,0,1]=4 6245 B13R1.720 COC(C(=O)C)c1ccccc1C 1458a_100012277922_200000210301 [0,2,0,0,0,0|2,0,0]=4 6246 B13R1.720 COC(C(=O)C)c1ccccc1F 1458a_100012277919_200000210301 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.720 COC(C(=O)[13CH3])c1ccccc1C 1458a_100012277922_200025704644 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.720 COC(C(=O)[13CH3])c1ccccc1F 1458a_100012277919_200025704644 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.897 CC(=C(C)c1cc(ccc1O)Br)C 271570a_200000049429_100012355227 [0,2,0,0,0,0|2,0,0]=4 6250 B13R1.897 CC(=C(C)c1cc(ccc1O)C)C 271570a_200000049429_100000765521 [0,2,0,0,0,0|2,0,0]=4 6251 B13R1.897 CC(=C(C)c1cc(ccc1O)Cl)C 271570a_200000049429_100011356953 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.897 CC(=C(C)c1cc(ccc1O)F)C 271570a_200000049429_100000211999 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.897 CC(=C(C)c1cc(ccc1O)N)C 271570a_200000049429_100011534360 [0,2,0,0,0,0|2,0,0]=4 6254 B13R1.897 CC(=C(C)c1cc(ccc1O)O)C 271570a_200000049429_100009813629 [0,2,0,0,0,0|2,0,0]=4 6255 B13R1.897 CC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_200000210301 [0,2,0,0,0,0|2,0,0]=4 6256 B13R1.897 CC(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200000210301 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)Cl 11a_100020633006_100015343762 [0,2,0,0,0,0|1,0,0]=3 6258 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)Cl 1626a_100020633006_100015343762 [0,2,0,0,0,0|1,0,0]=3 6259 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 11a_100020633008_100015343762 [0,2,0,0,0,0|1,0,0]=3 6260 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 1626a_100020633008_100015343762 [0,2,0,0,0,0|1,0,0]=3 6261 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 11a_100020629602_100015343762 [0,2,0,0,0,0|1,0,0]=3 6262 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 1626a_100020629602_100015343762 [0,2,0,0,0,0|1,0,0]=3 6263 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 527a_100020629602_100103153847 [0,2,0,0,0,0|1,0,0]=3 6264 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Cl 11a_100000221440_100015343762 [0,2,0,0,0,0|1,0,0]=3 6265 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Cl 1626a_100000221440_100015343762 [0,2,0,0,0,0|1,0,0]=3 6266 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 11a_114849113390_100015343762 [0,2,0,0,0,0|1,0,0]=3 6267 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 1626a_114849113390_100015343762 [0,2,0,0,0,0|1,0,0]=3 6268 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Br 11a_100011772073_100015343762 [0,2,0,0,0,0|1,0,0]=3 6269 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Br 1626a_100011772073_100015343762 [0,2,0,0,0,0|1,0,0]=3 6270 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl 11a_100000742562_100015343762 [0,2,0,0,0,0|1,0,0]=3 6271 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl 1626a_100000742562_100015343762 [0,2,0,0,0,0|1,0,0]=3 6272 B13R1.897 CC(=O)N(C)c1cc(ccc1F)Br 11a_100011314990_100015343762 [0,2,0,0,0,0|1,0,0]=3 6273 B13R1.897 CC(=O)N(C)c1cc(ccc1F)Br 1626a_100011314990_100015343762 [0,2,0,0,0,0|1,0,0]=3 6274 B13R1.897 Cc1ccc(c(c1)C(O)C(=O)[13CH3])C 1458a_100011497465_200025704644 [0,2,0,0,0,0|2,0,0]=4 6275 B13R1.897 [13CH3]C(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200025704644 [0,2,0,0,0,0|2,0,0]=4 6276 B13R1.3768 CC(=C(C)c1cccc(c1O)Br)C 271570a_200000049429_100010084509 [0,2,0,0,0,0|2,0,0]=4 6277 B13R1.3768 CC(=C(C)c1cccc(c1O)C)C 271570a_200000049429_100009817157 [0,2,0,0,0,0|2,0,0]=4 6278 B13R1.3768 CC(=C(C)c1cccc(c1O)Cl)C 271570a_200000049429_100010202889 [0,2,0,0,0,0|2,0,0]=4 6279 B13R1.3768 CC(=C(C)c1cccc(c1O)F)C 271570a_200000049429_100009813666 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.3768 CC(=C(C)c1cccc(c1O)N)C 271570a_200000049429_100011934915 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.3768 CC(=C(C)c1cccc(c1O)O)C 271570a_200000049429_100009815950 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.3768 CC(=O)C(C)c1cccc(c1C)C 1458a_100000070787_100012183177 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.3768 CC(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200000210301 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 11a_100020606106_100015343762 [0,2,0,0,0,0|1,0,0]=3 6285 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 1626a_100020606106_100015343762 [0,2,0,0,0,0|1,0,0]=3 6286 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 22a_100020606106_100000070787 [0,2,0,0,0,0|1,0,0]=3 6287 B13R1.3768 CC(=O)N(C)c1cccc(c1Cl)Cl 11a_100000742713_100015343762 [0,2,0,0,0,0|1,0,0]=3 6288 B13R1.3768 CC(=O)N(C)c1cccc(c1Cl)Cl 1626a_100000742713_100015343762 [0,2,0,0,0,0|1,0,0]=3 6289 B13R1.3768 CC(=O)N(C)c1cccc(c1F)Cl 11a_100020633735_100015343762 [0,2,0,0,0,0|1,0,0]=3 6290 B13R1.3768 CC(=O)N(C)c1cccc(c1F)Cl 1626a_100020633735_100015343762 [0,2,0,0,0,0|1,0,0]=3 6291 B13R1.3768 [13CH3]C(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200025704644 [0,2,0,0,0,0|2,0,0]=4 6292 B13R1.3789 CC(=C(C)c1c(cccc1Br)O)C 271570a_200000049429_100010187912 [0,2,0,0,0,0|2,0,0]=4 6293 B13R1.3789 CC(=C(C)c1c(cccc1Cl)O)C 271570a_200000049429_100000050174 [0,2,0,0,0,0|2,0,0]=4 6294 B13R1.3789 CC(=C(C)c1c(cccc1F)O)C 271570a_200000049429_100009820682 [0,2,0,0,0,0|2,0,0]=4 6295 B13R1.3789 CC(=C(C)c1c(cccc1O)C)C 271570a_200000049429_100000686692 [0,2,0,0,0,0|2,0,0]=4 6296 B13R1.3789 CC(=C(C)c1c(cccc1O)N)C 271570a_200000049429_100012183704 [0,2,0,0,0,0|2,0,0]=4 6297 B13R1.3789 CC(=C(C)c1c(cccc1O)O)C 271570a_200000049429_100010205330 [0,2,0,0,0,0|2,0,0]=4 6298 B13R1.3789 CC(=O)C(O)c1c(cccc1F)F 1458a_200011216624_200000210301 [0,2,0,0,0,0|2,0,0]=4 6299 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 11a_100011645471_100015343762 [0,2,0,0,0,0|1,0,0]=3 6300 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 1626a_100011645471_100015343762 [0,2,0,0,0,0|1,0,0]=3 6301 B13R1.3789 CC(=O)N(C)c1c(cccc1Cl)Cl 11a_100000691019_100015343762 [0,2,0,0,0,0|1,0,0]=3 6302 B13R1.3789 CC(=O)N(C)c1c(cccc1Cl)Cl 1626a_100000691019_100015343762 [0,2,0,0,0,0|1,0,0]=3 6303 B13R1.3789 CC(=O)N(C)c1c(cccc1F)F 11a_100000743377_100015343762 [0,2,0,0,0,0|1,0,0]=3 6304 B13R1.3789 CC(=O)N(C)c1c(cccc1F)F 1626a_100000743377_100015343762 [0,2,0,0,0,0|1,0,0]=3 6305 B13R1.3789 [13CH3]C(=O)C(O)c1c(cccc1F)F 1458a_200011216624_200025704644 [0,2,0,0,0,0|2,0,0]=4 6306 B13R1.3802 CC(=O)C(C)(C)c1ccccc1F 1458a_100000748980_200000210301 [0,2,0,0,0,0|2,0,0]=4 6307 B13R1.3802 CC(=O)C(F)(F)c1ccccc1F 1458a_100000070787_100000070671 [0,2,0,0,0,0|2,0,0]=4 6308 B13R1.3802 CC(C)(C(=O)[13CH3])c1ccccc1F 1458a_100000748980_200025704644 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 11a_100012022948_100015343762 [0,2,0,0,0,0|1,0,0]=3 6310 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 1626a_100012022948_100015343762 [0,2,0,0,0,0|1,0,0]=3 6311 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 22a_100012022948_100000070787 [0,2,0,0,0,0|1,0,0]=3 6312 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 527a_100012022948_100103153847 [0,2,0,0,0,0|1,0,0]=3 6313 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 11a_100000100531_100015343762 [0,2,0,0,0,0|1,0,0]=3 6314 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 1626a_100000100531_100015343762 [0,2,0,0,0,0|1,0,0]=3 6315 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 22a_100000100531_100000070787 [0,2,0,0,0,0|1,0,0]=3 6316 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 527a_100000100531_100103153847 [0,2,0,0,0,0|1,0,0]=3 6317 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,2,0,0,0,0|1,0,0]=3 6318 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)C 271570a_100011290941_100011344836 [0,2,0,0,0,0|1,0,0]=3 6319 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)F 271570a_100011290941_200011951791 [0,2,0,0,0,0|1,0,0]=3 6320 B13R1.97 C=Cc1ccc(c(c1)OC(=O)C)C 271570a_100011290941_100103282185 [0,2,0,0,0,0|2,0,0]=4 6321 B13R1.97 C=Cc1cnc(c(c1)NC(=O)C)C 271570a_100011290941_100010117071 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.97 CC(=Cc1cc(ccc1O)C#N)C 271570a_100102525489_100000725478 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.97 CC(=Cc1cc(ccc1O)C=O)C 271570a_100102525489_100000184552 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.97 CC(=Cc1cc(ccc1O)CO)C 271570a_100102525489_100011191544 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.97 CC(=O)Cc1cc(ccc1Br)C#N 1458a_100000070787_100012145668 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.97 CC(=O)Cc1cc(ccc1F)C#N 1458a_100000070787_100000239971 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [0,2,0,0,0,0|1,0,0]=3 6328 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [0,2,0,0,0,0|1,0,0]=3 6329 B13R1.97 CC(=O)Nc1cc(ccc1Br)C#N 11a_100012001879_100015343762 [0,2,0,0,0,0|1,0,0]=3 6330 B13R1.97 CC(=O)Nc1cc(ccc1Br)C#N 1626a_100012001879_100015343762 [0,2,0,0,0,0|1,0,0]=3 6331 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 11a_100000748024_100015343762 [0,2,0,0,0,0|1,0,0]=3 6332 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 1626a_100000748024_100015343762 [0,2,0,0,0,0|1,0,0]=3 6333 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 22a_100000748024_100000070787 [0,2,0,0,0,0|1,0,0]=3 6334 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 527a_100000748024_100103153847 [0,2,0,0,0,0|1,0,0]=3 6335 B13R1.97 CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000070787 [0,2,0,0,0,0|1,0,0]=3 6336 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 34a_100000740626_200025704644 [0,2,0,0,0,0|1,0,0]=3 6337 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 7a_100000740626_200025704644 [0,2,0,0,0,0|1,0,0]=3 6338 B13R1.97 CC(=O)Nc1cc(ccc1C)S[13CH3] 62a_200025704644_100011344836 [0,2,0,0,0,0|1,0,0]=3 6339 B13R1.97 CC(=O)Nc1cc(ccc1Cl)C#N 11a_100000766345_100015343762 [0,2,0,0,0,0|1,0,0]=3 6340 B13R1.97 CC(=O)Nc1cc(ccc1Cl)C#N 1626a_100000766345_100015343762 [0,2,0,0,0,0|1,0,0]=3 6341 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 34a_100000745429_200025704644 [0,2,0,0,0,0|1,0,0]=3 6342 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 7a_100000745429_200025704644 [0,2,0,0,0,0|1,0,0]=3 6343 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 11a_100011934650_100015343762 [0,2,0,0,0,0|1,0,0]=3 6344 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 1626a_100011934650_100015343762 [0,2,0,0,0,0|1,0,0]=3 6345 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 22a_100011934650_100000070787 [0,2,0,0,0,0|1,0,0]=3 6346 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 527a_100011934650_100103153847 [0,2,0,0,0,0|1,0,0]=3 6347 B13R1.97 CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000070787 [0,2,0,0,0,0|1,0,0]=3 6348 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 34a_100000736141_200025704644 [0,2,0,0,0,0|1,0,0]=3 6349 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 7a_100000736141_200025704644 [0,2,0,0,0,0|1,0,0]=3 6350 B13R1.97 CC(=O)Nc1cc(ccc1F)S[13CH3] 62a_200025704644_200011951791 [0,2,0,0,0,0|1,0,0]=3 6351 B13R1.97 CC(=O)Nc1cc(ccc1I)C#N 11a_200012349464_100015343762 [0,2,0,0,0,0|1,0,0]=3 6352 B13R1.97 CC(=O)Nc1cc(ccc1I)C#N 1626a_200012349464_100015343762 [0,2,0,0,0,0|1,0,0]=3 6353 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 22a_100000766272_100000070787 [0,2,0,0,0,0|0,0,0]=2 6354 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 527a_100000766272_100103153847 [0,2,0,0,0,0|0,0,0]=2 6355 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [0,2,0,0,0,0|0,0,0]=2 6356 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [0,2,0,0,0,0|0,0,0]=2 6357 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [0,2,0,0,0,0|0,0,0]=2 6358 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [0,2,0,0,0,0|0,0,0]=2 6359 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_100010117071_200025704644 [0,2,0,0,0,0|2,0,0]=4 6360 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_200025704644_100010117071 [0,2,0,0,0,0|2,0,0]=4 6361 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_100103282185_200025704644 [0,2,0,0,0,0|2,0,0]=4 6362 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_200025704644_100103282185 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.97 CC(C)Nc1cc(ccc1O)C#N 34a_100000766272_100000210206 [0,2,0,0,0,0|1,0,1]=4 6364 B13R1.97 CC(C)Nc1cc(ccc1O)C#N 7a_100000766272_100000210206 [0,2,0,0,0,0|1,0,1]=4 6365 B13R1.97 CC(C)Nc1cc(ccc1O)CO 34a_100000123545_100000210206 [0,2,0,0,0,0|1,0,1]=4 6366 B13R1.97 CCc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100012339963 [0,2,0,0,0,0|2,0,0]=4 6367 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 11a_200012022522_100015343762 [0,2,0,0,0,0|1,0,0]=3 6368 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 1626a_200012022522_100015343762 [0,2,0,0,0,0|1,0,0]=3 6369 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 22a_200012022522_100000070787 [0,2,0,0,0,0|1,0,0]=3 6370 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 527a_200012022522_100103153847 [0,2,0,0,0,0|1,0,0]=3 6371 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,2,0,0,0,0|0,0,0]=2 6372 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,2,0,0,0,0|0,0,0]=2 6373 B13R1.97 CCc1ccc(c(c1)NC(C)C)O 34a_100000765835_100000210206 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_200000210301 [0,2,0,0,0,0|1,0,0]=3 6375 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_200000210301 [0,2,0,0,0,0|1,0,0]=3 6376 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_200000210301 [0,2,0,0,0,0|1,0,0]=3 6377 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_200000210301 [0,2,0,0,0,0|1,0,0]=3 6378 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_200000210301 [0,2,0,0,0,0|1,0,0]=3 6379 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_200000210301 [0,2,0,0,0,0|1,0,0]=3 6380 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [0,2,0,0,0,0|0,0,0]=2 6381 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [0,2,0,0,0,0|0,0,0]=2 6382 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100000761528 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000690513_200000210301 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000718613 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100010217559_200000210301 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100000070787_100010243555 [0,2,0,0,0,0|2,0,0]=4 6388 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100009868546_200000210301 [0,2,0,0,0,0|2,0,0]=4 6389 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100000690513_200025704644 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Cl 1458a_100010217559_200025704644 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100009868546_200025704644 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 11a_100000748603_100015343762 [0,2,0,0,0,0|1,0,0]=3 6393 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 1626a_100000748603_100015343762 [0,2,0,0,0,0|1,0,0]=3 6394 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 22a_100000748603_100000070787 [0,2,0,0,0,0|1,0,0]=3 6395 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 11a_100000760359_100015343762 [0,2,0,0,0,0|1,0,0]=3 6396 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 1626a_100000760359_100015343762 [0,2,0,0,0,0|1,0,0]=3 6397 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 22a_100000760359_100000070787 [0,2,0,0,0,0|1,0,0]=3 6398 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 527a_100000760359_100103153847 [0,2,0,0,0,0|1,0,0]=3 6399 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 11a_100000745576_100015343762 [0,2,0,0,0,0|1,0,0]=3 6400 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745576_100015343762 [0,2,0,0,0,0|1,0,0]=3 6401 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 22a_100000745576_100000070787 [0,2,0,0,0,0|1,0,0]=3 6402 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 11a_100000764331_100015343762 [0,2,0,0,0,0|1,0,0]=3 6403 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 1626a_100000764331_100015343762 [0,2,0,0,0,0|1,0,0]=3 6404 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 22a_100000764331_100000070787 [0,2,0,0,0,0|1,0,0]=3 6405 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 527a_100000764331_100103153847 [0,2,0,0,0,0|1,0,0]=3 6406 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 11a_100000748021_100015343762 [0,2,0,0,0,0|1,0,0]=3 6407 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 1626a_100000748021_100015343762 [0,2,0,0,0,0|1,0,0]=3 6408 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 22a_100000748021_100000070787 [0,2,0,0,0,0|1,0,0]=3 6409 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [0,2,0,0,0,0|0,0,0]=2 6410 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [0,2,0,0,0,0|0,0,0]=2 6411 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [0,2,0,0,0,0|0,0,0]=2 6412 B13R1.97 COc1ccc(c(c1)NC(C)C)O 34a_100000188146_100000210206 [0,2,0,0,0,0|1,0,1]=4 6413 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [0,2,0,0,0,0|1,0,0]=3 6414 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [0,2,0,0,0,0|1,0,0]=3 6415 B13R1.97 CSc1ccc(c(c1)NC(=O)C)C 62a_200000210301_100011344836 [0,2,0,0,0,0|1,0,0]=3 6416 B13R1.97 CSc1ccc(c(c1)NC(=O)C)F 62a_200000210301_200011951791 [0,2,0,0,0,0|1,0,0]=3 6417 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_200000210301 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_200000210301_100103282185 [0,2,0,0,0,0|2,0,0]=4 6419 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_200000210301 [0,2,0,0,0,0|2,0,0]=4 6420 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_200000210301_100010117071 [0,2,0,0,0,0|2,0,0]=4 6421 B13R1.876 CC(=Cc1cc(c(cc1O)C)C)C 271570a_100102525489_100009814663 [0,2,0,0,0,0|2,0,0]=4 6422 B13R1.876 CC(=Cc1cc(c(cc1O)F)F)C 271570a_100102525489_100009813768 [0,2,0,0,0,0|2,0,0]=4 6423 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100000070787_100010077255 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200000210301 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000070787_100010220947 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100000070787_100009813697 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200000210301 [0,2,0,0,0,0|2,0,0]=4 6428 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200000210301 [0,2,0,0,0,0|2,0,0]=4 6429 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000070787_100011830393 [0,2,0,0,0,0|2,0,0]=4 6430 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100000070787_100012024439 [0,2,0,0,0,0|2,0,0]=4 6431 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200000210301 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.876 CC(=O)Cc1cc(c(cc1F)Cl)F 1458a_100000070787_200012361342 [0,2,0,0,0,0|2,0,0]=4 6433 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)C 1458a_100000070787_100012347589 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100000070787_100010994231 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200000210301 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000070787_100011218792 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200000210301 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)I 1458a_100000070787_100019984567 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)Br 11a_100009998182_100015343762 [0,2,0,0,0,0|1,0,0]=3 6440 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)C 11a_100009995518_100015343762 [0,2,0,0,0,0|1,0,0]=3 6441 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)C 1626a_100009995518_100015343762 [0,2,0,0,0,0|1,0,0]=3 6442 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)F 11a_100010212202_100015343762 [0,2,0,0,0,0|1,0,0]=3 6443 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)F 1626a_100010212202_100015343762 [0,2,0,0,0,0|1,0,0]=3 6444 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Br 11a_100012348304_100015343762 [0,2,0,0,0,0|1,0,0]=3 6445 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Br 1626a_100012348304_100015343762 [0,2,0,0,0,0|1,0,0]=3 6446 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)C 11a_100012337760_100015343762 [0,2,0,0,0,0|1,0,0]=3 6447 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)C 1626a_100012337760_100015343762 [0,2,0,0,0,0|1,0,0]=3 6448 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl 11a_100000702286_100015343762 [0,2,0,0,0,0|1,0,0]=3 6449 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl 1626a_100000702286_100015343762 [0,2,0,0,0,0|1,0,0]=3 6450 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl 22a_100000702286_100000070787 [0,2,0,0,0,0|1,0,0]=3 6451 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)F 11a_100011218008_100015343762 [0,2,0,0,0,0|1,0,0]=3 6452 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)F 1626a_100011218008_100015343762 [0,2,0,0,0,0|1,0,0]=3 6453 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Cl)F 11a_100010254744_100015343762 [0,2,0,0,0,0|1,0,0]=3 6454 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Cl)F 1626a_100010254744_100015343762 [0,2,0,0,0,0|1,0,0]=3 6455 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Br 11a_100010131408_100015343762 [0,2,0,0,0,0|1,0,0]=3 6456 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Br 1626a_100010131408_100015343762 [0,2,0,0,0,0|1,0,0]=3 6457 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)C 11a_100010233353_100015343762 [0,2,0,0,0,0|1,0,0]=3 6458 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)C 1626a_100010233353_100015343762 [0,2,0,0,0,0|1,0,0]=3 6459 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Cl 11a_100009817155_100015343762 [0,2,0,0,0,0|1,0,0]=3 6460 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Cl 1626a_100009817155_100015343762 [0,2,0,0,0,0|1,0,0]=3 6461 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)F 11a_100000690790_100015343762 [0,2,0,0,0,0|1,0,0]=3 6462 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)F 1626a_100000690790_100015343762 [0,2,0,0,0,0|1,0,0]=3 6463 B13R1.876 CC(=O)Nc1cc(c(cc1Br)O)Br 527a_100011080774_100103153847 [0,2,0,0,0,0|1,0,0]=3 6464 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 11a_100011934712_100015343762 [0,2,0,0,0,0|1,0,0]=3 6465 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 1626a_100011934712_100015343762 [0,2,0,0,0,0|1,0,0]=3 6466 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 22a_100011934712_100000070787 [0,2,0,0,0,0|1,0,0]=3 6467 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 527a_100011934712_100103153847 [0,2,0,0,0,0|1,0,0]=3 6468 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)Cl 11a_100012353740_100015343762 [0,2,0,0,0,0|1,0,0]=3 6469 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)Cl 1626a_100012353740_100015343762 [0,2,0,0,0,0|1,0,0]=3 6470 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)Cl 22a_100012353740_100000070787 [0,2,0,0,0,0|1,0,0]=3 6471 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F 11a_100000695870_100015343762 [0,2,0,0,0,0|1,0,0]=3 6472 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F 1626a_100000695870_100015343762 [0,2,0,0,0,0|1,0,0]=3 6473 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F 22a_100000695870_100000070787 [0,2,0,0,0,0|1,0,0]=3 6474 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 11a_100000703630_100015343762 [0,2,0,0,0,0|1,0,0]=3 6475 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 1626a_100000703630_100015343762 [0,2,0,0,0,0|1,0,0]=3 6476 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 22a_100000703630_100000070787 [0,2,0,0,0,0|1,0,0]=3 6477 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br 527a_100000703630_100103153847 [0,2,0,0,0,0|1,0,0]=3 6478 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 11a_100011217141_100015343762 [0,2,0,0,0,0|1,0,0]=3 6479 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 1626a_100011217141_100015343762 [0,2,0,0,0,0|1,0,0]=3 6480 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 22a_100011217141_100000070787 [0,2,0,0,0,0|1,0,0]=3 6481 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 11a_100010244688_100015343762 [0,2,0,0,0,0|1,0,0]=3 6482 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 1626a_100010244688_100015343762 [0,2,0,0,0,0|1,0,0]=3 6483 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 22a_100010244688_100000070787 [0,2,0,0,0,0|1,0,0]=3 6484 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Br 527a_100010244688_100103153847 [0,2,0,0,0,0|1,0,0]=3 6485 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 11a_100011830454_100015343762 [0,2,0,0,0,0|1,0,0]=3 6486 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 1626a_100011830454_100015343762 [0,2,0,0,0,0|1,0,0]=3 6487 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 22a_100011830454_100000070787 [0,2,0,0,0,0|1,0,0]=3 6488 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Cl 11a_100012017293_100015343762 [0,2,0,0,0,0|1,0,0]=3 6489 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Cl 1626a_100012017293_100015343762 [0,2,0,0,0,0|1,0,0]=3 6490 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)Cl 22a_100012017293_100000070787 [0,2,0,0,0,0|1,0,0]=3 6491 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)O 22a_100009961766_100000070787 [0,2,0,0,0,0|1,0,0]=3 6492 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 11a_100000717900_100015343762 [0,2,0,0,0,0|1,0,0]=3 6493 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 1626a_100000717900_100015343762 [0,2,0,0,0,0|1,0,0]=3 6494 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 22a_100000717900_100000070787 [0,2,0,0,0,0|1,0,0]=3 6495 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Br 527a_100000717900_100103153847 [0,2,0,0,0,0|1,0,0]=3 6496 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Cl 11a_100012017673_100015343762 [0,2,0,0,0,0|1,0,0]=3 6497 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Cl 1626a_100012017673_100015343762 [0,2,0,0,0,0|1,0,0]=3 6498 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)Cl 22a_100012017673_100000070787 [0,2,0,0,0,0|1,0,0]=3 6499 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)F 11a_100011830416_100015343762 [0,2,0,0,0,0|1,0,0]=3 6500 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)F 1626a_100011830416_100015343762 [0,2,0,0,0,0|1,0,0]=3 6501 B13R1.876 CC(=O)Nc1cc(c(cc1C)F)F 22a_100011830416_100000070787 [0,2,0,0,0,0|1,0,0]=3 6502 B13R1.876 CC(=O)Nc1cc(c(cc1C)I)F 11a_100010291052_100015343762 [0,2,0,0,0,0|1,0,0]=3 6503 B13R1.876 CC(=O)Nc1cc(c(cc1C)I)F 1626a_100010291052_100015343762 [0,2,0,0,0,0|1,0,0]=3 6504 B13R1.876 CC(=O)Nc1cc(c(cc1C)I)F 22a_100010291052_100000070787 [0,2,0,0,0,0|1,0,0]=3 6505 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [0,2,0,0,0,0|1,0,0]=3 6506 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [0,2,0,0,0,0|1,0,0]=3 6507 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [0,2,0,0,0,0|1,0,0]=3 6508 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)F 271570a_203496583355_200013212116 [0,2,0,0,0,0|1,0,0]=3 6510 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)Cl 11a_100000246133_100015343762 [0,2,0,0,0,0|1,0,0]=3 6511 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)Cl 1626a_100000246133_100015343762 [0,2,0,0,0,0|1,0,0]=3 6512 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)F 11a_100000688864_100015343762 [0,2,0,0,0,0|1,0,0]=3 6513 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Br)F 1626a_100000688864_100015343762 [0,2,0,0,0,0|1,0,0]=3 6514 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 11a_100012183282_100015343762 [0,2,0,0,0,0|1,0,0]=3 6515 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 1626a_100012183282_100015343762 [0,2,0,0,0,0|1,0,0]=3 6516 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 22a_100012183282_100000070787 [0,2,0,0,0,0|1,0,0]=3 6517 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)O 22a_100000092876_100000070787 [0,2,0,0,0,0|1,0,0]=3 6518 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Br 11a_200012360370_100015343762 [0,2,0,0,0,0|1,0,0]=3 6519 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Br 1626a_200012360370_100015343762 [0,2,0,0,0,0|1,0,0]=3 6520 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)C 11a_100012000392_100015343762 [0,2,0,0,0,0|1,0,0]=3 6521 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)C 1626a_100012000392_100015343762 [0,2,0,0,0,0|1,0,0]=3 6522 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl 11a_100000211015_100015343762 [0,2,0,0,0,0|1,0,0]=3 6523 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl 1626a_100000211015_100015343762 [0,2,0,0,0,0|1,0,0]=3 6524 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)F 11a_100012017157_100015343762 [0,2,0,0,0,0|1,0,0]=3 6525 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)F 1626a_100012017157_100015343762 [0,2,0,0,0,0|1,0,0]=3 6526 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)I 11a_100016224655_100015343762 [0,2,0,0,0,0|1,0,0]=3 6527 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)I 1626a_100016224655_100015343762 [0,2,0,0,0,0|1,0,0]=3 6528 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Br 11a_100000685351_100015343762 [0,2,0,0,0,0|1,0,0]=3 6529 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Br 1626a_100000685351_100015343762 [0,2,0,0,0,0|1,0,0]=3 6530 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 11a_100000729549_100015343762 [0,2,0,0,0,0|1,0,0]=3 6531 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 1626a_100000729549_100015343762 [0,2,0,0,0,0|1,0,0]=3 6532 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 22a_100000729549_100000070787 [0,2,0,0,0,0|1,0,0]=3 6533 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Cl 11a_100000085081_100015343762 [0,2,0,0,0,0|1,0,0]=3 6534 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Cl 1626a_100000085081_100015343762 [0,2,0,0,0,0|1,0,0]=3 6535 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)Cl 22a_100000085081_100000070787 [0,2,0,0,0,0|1,0,0]=3 6536 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)F 11a_100000766337_100015343762 [0,2,0,0,0,0|1,0,0]=3 6537 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)F 1626a_100000766337_100015343762 [0,2,0,0,0,0|1,0,0]=3 6538 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 22a_100009886023_100000070787 [0,2,0,0,0,0|1,0,0]=3 6539 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 527a_100009886023_100103153847 [0,2,0,0,0,0|1,0,0]=3 6540 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 11a_200010212207_100015343762 [0,2,0,0,0,0|1,0,0]=3 6541 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 1626a_200010212207_100015343762 [0,2,0,0,0,0|1,0,0]=3 6542 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 22a_200010212207_100000070787 [0,2,0,0,0,0|1,0,0]=3 6543 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Br 527a_200010212207_100103153847 [0,2,0,0,0,0|1,0,0]=3 6544 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 11a_100000691575_100015343762 [0,2,0,0,0,0|1,0,0]=3 6545 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 1626a_100000691575_100015343762 [0,2,0,0,0,0|1,0,0]=3 6546 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 22a_100000691575_100000070787 [0,2,0,0,0,0|1,0,0]=3 6547 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Cl 11a_100012356688_100015343762 [0,2,0,0,0,0|1,0,0]=3 6548 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Cl 1626a_100012356688_100015343762 [0,2,0,0,0,0|1,0,0]=3 6549 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)Cl 22a_100012356688_100000070787 [0,2,0,0,0,0|1,0,0]=3 6550 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F 11a_100000690247_100015343762 [0,2,0,0,0,0|1,0,0]=3 6551 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F 1626a_100000690247_100015343762 [0,2,0,0,0,0|1,0,0]=3 6552 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)F 22a_100000690247_100000070787 [0,2,0,0,0,0|1,0,0]=3 6553 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)Br 11a_100010239588_100015343762 [0,2,0,0,0,0|1,0,0]=3 6554 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)Br 1626a_100010239588_100015343762 [0,2,0,0,0,0|1,0,0]=3 6555 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)Br 527a_100010239588_100103153847 [0,2,0,0,0,0|1,0,0]=3 6556 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)F 11a_100012002673_100015343762 [0,2,0,0,0,0|1,0,0]=3 6557 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)F 1626a_100012002673_100015343762 [0,2,0,0,0,0|1,0,0]=3 6558 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)F 22a_100012002673_100000070787 [0,2,0,0,0,0|1,0,0]=3 6559 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 11a_100011014115_100015343762 [0,2,0,0,0,0|1,0,0]=3 6560 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 1626a_100011014115_100015343762 [0,2,0,0,0,0|1,0,0]=3 6561 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 22a_100011014115_100000070787 [0,2,0,0,0,0|1,0,0]=3 6562 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)I 527a_100011014115_100103153847 [0,2,0,0,0,0|1,0,0]=3 6563 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 22a_100000117193_100000070787 [0,2,0,0,0,0|1,0,0]=3 6564 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 527a_100000117193_100103153847 [0,2,0,0,0,0|1,0,0]=3 6565 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Br 11a_100013023876_100015343762 [0,2,0,0,0,0|1,0,0]=3 6566 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Br 1626a_100013023876_100015343762 [0,2,0,0,0,0|1,0,0]=3 6567 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 11a_100000091823_100015343762 [0,2,0,0,0,0|1,0,0]=3 6568 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 1626a_100000091823_100015343762 [0,2,0,0,0,0|1,0,0]=3 6569 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 22a_100000091823_100000070787 [0,2,0,0,0,0|1,0,0]=3 6570 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Cl 11a_100000724578_100015343762 [0,2,0,0,0,0|1,0,0]=3 6571 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)Cl 1626a_100000724578_100015343762 [0,2,0,0,0,0|1,0,0]=3 6572 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)F 11a_100011998097_100015343762 [0,2,0,0,0,0|1,0,0]=3 6573 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)F 1626a_100011998097_100015343762 [0,2,0,0,0,0|1,0,0]=3 6574 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000070787 [0,2,0,0,0,0|1,0,0]=3 6575 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Br 11a_100000700208_100015343762 [0,2,0,0,0,0|1,0,0]=3 6576 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Br 1626a_100000700208_100015343762 [0,2,0,0,0,0|1,0,0]=3 6577 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Br 22a_100000700208_100000070787 [0,2,0,0,0,0|1,0,0]=3 6578 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Cl 11a_100011998096_100015343762 [0,2,0,0,0,0|1,0,0]=3 6579 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Cl 1626a_100011998096_100015343762 [0,2,0,0,0,0|1,0,0]=3 6580 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)Cl 22a_100011998096_100000070787 [0,2,0,0,0,0|1,0,0]=3 6581 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)F 11a_100000750162_100015343762 [0,2,0,0,0,0|1,0,0]=3 6582 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)F 1626a_100000750162_100015343762 [0,2,0,0,0,0|1,0,0]=3 6583 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)F 22a_100000750162_100000070787 [0,2,0,0,0,0|1,0,0]=3 6584 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 22a_100011219470_100000070787 [0,2,0,0,0,0|1,0,0]=3 6585 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 271570a_203496583355_200013902858 [0,2,0,0,0,0|1,0,0]=3 6586 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 527a_100011219470_100103153847 [0,2,0,0,0,0|1,0,0]=3 6587 B13R1.876 CC(=O)Nc1cc(c(cc1F)I)F 11a_100010185194_100015343762 [0,2,0,0,0,0|1,0,0]=3 6588 B13R1.876 CC(=O)Nc1cc(c(cc1F)I)F 1626a_100010185194_100015343762 [0,2,0,0,0,0|1,0,0]=3 6589 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 22a_100020635945_100000070787 [0,2,0,0,0,0|1,0,0]=3 6590 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 271570a_203496583355_200012359909 [0,2,0,0,0,0|1,0,0]=3 6591 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 527a_100020635945_100103153847 [0,2,0,0,0,0|1,0,0]=3 6592 B13R1.876 CC(=O)Nc1cc(c(cc1I)Br)F 11a_100010888672_100015343762 [0,2,0,0,0,0|1,0,0]=3 6593 B13R1.876 CC(=O)Nc1cc(c(cc1I)Br)F 1626a_100010888672_100015343762 [0,2,0,0,0,0|1,0,0]=3 6594 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)Br 11a_200015600912_100015343762 [0,2,0,0,0,0|1,0,0]=3 6595 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)Br 1626a_200015600912_100015343762 [0,2,0,0,0,0|1,0,0]=3 6596 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C 11a_100012353678_100015343762 [0,2,0,0,0,0|1,0,0]=3 6597 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C 1626a_100012353678_100015343762 [0,2,0,0,0,0|1,0,0]=3 6598 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)Cl 11a_200011093942_100015343762 [0,2,0,0,0,0|1,0,0]=3 6599 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)Cl 1626a_200011093942_100015343762 [0,2,0,0,0,0|1,0,0]=3 6600 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)F 11a_100010892166_100015343762 [0,2,0,0,0,0|1,0,0]=3 6601 B13R1.876 CC(=O)Nc1cc(c(cc1I)Cl)F 1626a_100010892166_100015343762 [0,2,0,0,0,0|1,0,0]=3 6602 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Br 11a_200021016574_100015343762 [0,2,0,0,0,0|1,0,0]=3 6603 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Br 1626a_200021016574_100015343762 [0,2,0,0,0,0|1,0,0]=3 6604 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)C 11a_100010238302_100015343762 [0,2,0,0,0,0|1,0,0]=3 6605 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)C 1626a_100010238302_100015343762 [0,2,0,0,0,0|1,0,0]=3 6606 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Cl 11a_200010992381_100015343762 [0,2,0,0,0,0|1,0,0]=3 6607 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)Cl 1626a_200010992381_100015343762 [0,2,0,0,0,0|1,0,0]=3 6608 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)F 11a_100000765032_100015343762 [0,2,0,0,0,0|1,0,0]=3 6609 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)F 1626a_100000765032_100015343762 [0,2,0,0,0,0|1,0,0]=3 6610 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000070787 [0,2,0,0,0,0|0,0,0]=2 6611 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100103153847 [0,2,0,0,0,0|0,0,0]=2 6612 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [0,2,0,0,0,0|0,0,0]=2 6613 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [0,2,0,0,0,0|0,0,0]=2 6614 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000070787 [0,2,0,0,0,0|0,0,0]=2 6615 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 527a_100013038943_100103153847 [0,2,0,0,0,0|0,0,0]=2 6616 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 22a_200010235796_100000070787 [0,2,0,0,0,0|0,0,0]=2 6617 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 527a_200010235796_100103153847 [0,2,0,0,0,0|0,0,0]=2 6618 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [0,2,0,0,0,0|0,0,0]=2 6619 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [0,2,0,0,0,0|0,0,0]=2 6620 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [0,2,0,0,0,0|0,0,0]=2 6621 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 22a_100000091707_100000070787 [0,2,0,0,0,0|0,0,0]=2 6622 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 527a_100000091707_100103153847 [0,2,0,0,0,0|0,0,0]=2 6623 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000070787 [0,2,0,0,0,0|0,0,0]=2 6624 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100103153847 [0,2,0,0,0,0|0,0,0]=2 6625 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000070787 [0,2,0,0,0,0|0,0,0]=2 6626 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100103153847 [0,2,0,0,0,0|0,0,0]=2 6627 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000070787 [0,2,0,0,0,0|0,0,0]=2 6628 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100103153847 [0,2,0,0,0,0|0,0,0]=2 6629 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000070787 [0,2,0,0,0,0|0,0,0]=2 6630 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 527a_100012359894_100103153847 [0,2,0,0,0,0|0,0,0]=2 6631 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [0,2,0,0,0,0|0,0,0]=2 6632 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [0,2,0,0,0,0|0,0,0]=2 6633 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 22a_106722365970_100000070787 [0,2,0,0,0,0|0,0,0]=2 6634 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 271570a_203496583355_100010198355 [0,2,0,0,0,0|0,0,0]=2 6635 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 527a_106722365970_100103153847 [0,2,0,0,0,0|0,0,0]=2 6636 B13R1.876 CC(C)Nc1cc(c(cc1O)Br)Br 7a_200010781931_100000210206 [0,2,0,0,0,0|1,0,1]=4 6637 B13R1.876 CC(C)Nc1cc(c(cc1O)Br)F 34a_100013038943_100000210206 [0,2,0,0,0,0|1,0,1]=4 6638 B13R1.876 CC(C)Nc1cc(c(cc1O)Br)F 7a_100013038943_100000210206 [0,2,0,0,0,0|1,0,1]=4 6639 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Br 34a_100013488937_100000210206 [0,2,0,0,0,0|1,0,1]=4 6640 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Br 7a_100013488937_100000210206 [0,2,0,0,0,0|1,0,1]=4 6641 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000210206 [0,2,0,0,0,0|1,0,1]=4 6642 B13R1.876 CC(C)Nc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000210206 [0,2,0,0,0,0|1,0,1]=4 6643 B13R1.876 CC(C)Nc1cc(c(cc1O)F)Br 34a_100012359894_100000210206 [0,2,0,0,0,0|1,0,1]=4 6644 B13R1.876 CC(C)Nc1cc(c(cc1O)F)Br 7a_100012359894_100000210206 [0,2,0,0,0,0|1,0,1]=4 6645 B13R1.876 CC(C)Nc1cc(c(cc1O)F)F 2230a_106722365970_100000210206 [0,2,0,0,0,0|1,0,1]=4 6646 B13R1.876 CC(C)Nc1cc(c(cc1O)F)F 34a_106722365970_100000210206 [0,2,0,0,0,0|1,0,1]=4 6647 B13R1.876 CC(C)Nc1cc(c(cc1O)F)F 7a_106722365970_100000210206 [0,2,0,0,0,0|1,0,1]=4 6648 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)O 34a_200010235796_100000210206 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.876 Cc1cc(c(cc1Br)NC(C)C)O 7a_200010235796_100000210206 [0,2,0,0,0,0|1,0,1]=4 6650 B13R1.876 Cc1cc(c(cc1Br)O)NC(C)C 34a_200010107346_100000210206 [0,2,0,0,0,0|1,0,1]=4 6651 B13R1.876 Cc1cc(c(cc1C)NC(C)C)O 34a_100133014134_100000210206 [0,2,0,0,0,0|1,0,1]=4 6652 B13R1.876 Cc1cc(c(cc1C)NC(C)C)O 7a_100133014134_100000210206 [0,2,0,0,0,0|1,0,1]=4 6653 B13R1.876 Cc1cc(c(cc1Cl)NC(C)C)O 34a_100000091707_100000210206 [0,2,0,0,0,0|1,0,1]=4 6654 B13R1.876 Cc1cc(c(cc1F)O)NC(C)C 34a_100012022779_100000210206 [0,2,0,0,0,0|1,0,1]=4 6655 B13R1.876 Cc1cc(c(cc1F)O)NC(C)C 7a_100012022779_100000210206 [0,2,0,0,0,0|1,0,1]=4 6656 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200025704644 [0,2,0,0,0,0|2,0,0]=4 6657 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200025704644 [0,2,0,0,0,0|2,0,0]=4 6658 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200025704644 [0,2,0,0,0,0|2,0,0]=4 6659 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200025704644 [0,2,0,0,0,0|2,0,0]=4 6660 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200025704644 [0,2,0,0,0,0|2,0,0]=4 6661 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200025704644 [0,2,0,0,0,0|2,0,0]=4 6662 B13R1.885 CC(=Cc1c(ccc(c1O)F)C)C 271570a_100102525489_200010223207 [0,2,0,0,0,0|2,0,0]=4 6663 B13R1.885 CC(=Cc1c(ccc(c1O)F)F)C 271570a_100102525489_100010170822 [0,2,0,0,0,0|2,0,0]=4 6664 B13R1.885 CC(=O)Cc1c(ccc(c1Br)Cl)F 1458a_100000070787_100011099539 [0,2,0,0,0,0|2,0,0]=4 6665 B13R1.885 CC(=O)Cc1c(ccc(c1Br)F)F 1458a_100016070055_200000210301 [0,2,0,0,0,0|2,0,0]=4 6666 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)Cl 1458a_100000070787_200010220899 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)F 1458a_100000038137_200000210301 [0,2,0,0,0,0|2,0,0]=4 6668 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)F 1458a_100000070787_100009813558 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)Cl)F 1458a_100000062034_200000210301 [0,2,0,0,0,0|2,0,0]=4 6670 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000037411_200000210301 [0,2,0,0,0,0|2,0,0]=4 6671 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000070787_100009813715 [0,2,0,0,0,0|2,0,0]=4 6672 B13R1.885 CC(=O)Cc1c(ccc(c1F)Br)Cl 1458a_100000070787_100010993448 [0,2,0,0,0,0|2,0,0]=4 6673 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)Cl 1458a_100000035286_200000210301 [0,2,0,0,0,0|2,0,0]=4 6674 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)Cl 1458a_100000070787_100009813557 [0,2,0,0,0,0|2,0,0]=4 6675 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)F 1458a_100000070787_100011217880 [0,2,0,0,0,0|2,0,0]=4 6676 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)F 1458a_100011218906_200000210301 [0,2,0,0,0,0|2,0,0]=4 6677 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)Br 1458a_100000070787_100011071994 [0,2,0,0,0,0|2,0,0]=4 6678 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)Cl 1458a_100000070787_100009814555 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000038211_200000210301 [0,2,0,0,0,0|2,0,0]=4 6680 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000070787_100009813610 [0,2,0,0,0,0|2,0,0]=4 6681 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Br 1458a_100000070787_100011070584 [0,2,0,0,0,0|2,0,0]=4 6682 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Br 1458a_100010177769_200000210301 [0,2,0,0,0,0|2,0,0]=4 6683 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Cl 1458a_100000070787_100010381632 [0,2,0,0,0,0|2,0,0]=4 6684 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)F 1458a_100000042514_200000210301 [0,2,0,0,0,0|2,0,0]=4 6685 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)F 1458a_100000070787_100009813269 [0,2,0,0,0,0|2,0,0]=4 6686 B13R1.885 CC(=O)Nc1c(ccc(c1Br)F)F 11a_100014094178_100015343762 [0,2,0,0,0,0|1,0,0]=3 6687 B13R1.885 CC(=O)Nc1c(ccc(c1Br)F)F 1626a_100014094178_100015343762 [0,2,0,0,0,0|1,0,0]=3 6688 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 11a_200010074581_100015343762 [0,2,0,0,0,0|1,0,0]=3 6689 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 1626a_200010074581_100015343762 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)C 22a_200010074581_100000070787 [0,2,0,0,0,0|1,0,0]=3 6691 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)F 11a_100010588651_100015343762 [0,2,0,0,0,0|1,0,0]=3 6692 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)F 1626a_100010588651_100015343762 [0,2,0,0,0,0|1,0,0]=3 6693 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 22a_100013039247_100000070787 [0,2,0,0,0,0|0,0,0]=2 6694 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 527a_100013039247_100103153847 [0,2,0,0,0,0|0,0,0]=2 6695 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 11a_100000117417_100015343762 [0,2,0,0,0,0|1,0,0]=3 6696 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 1626a_100000117417_100015343762 [0,2,0,0,0,0|1,0,0]=3 6697 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 22a_100000117417_100000070787 [0,2,0,0,0,0|1,0,0]=3 6698 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)C 11a_200020642106_100015343762 [0,2,0,0,0,0|1,0,0]=3 6699 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)C 1626a_200020642106_100015343762 [0,2,0,0,0,0|1,0,0]=3 6700 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)Cl 11a_100009961198_100015343762 [0,2,0,0,0,0|1,0,0]=3 6701 B13R1.885 CC(=O)Nc1c(ccc(c1C)Cl)Cl 1626a_100009961198_100015343762 [0,2,0,0,0,0|1,0,0]=3 6702 B13R1.885 CC(=O)Nc1c(ccc(c1C)F)Br 11a_100011009917_100015343762 [0,2,0,0,0,0|1,0,0]=3 6703 B13R1.885 CC(=O)Nc1c(ccc(c1C)F)Br 1626a_100011009917_100015343762 [0,2,0,0,0,0|1,0,0]=3 6704 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 11a_200010115591_100015343762 [0,2,0,0,0,0|1,0,0]=3 6705 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 1626a_200010115591_100015343762 [0,2,0,0,0,0|1,0,0]=3 6706 B13R1.885 CC(=O)Nc1c(ccc(c1C)I)C 22a_200010115591_100000070787 [0,2,0,0,0,0|1,0,0]=3 6707 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)Cl 11a_100000210993_100015343762 [0,2,0,0,0,0|1,0,0]=3 6708 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)F 11a_106744479701_100015343762 [0,2,0,0,0,0|1,0,0]=3 6709 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)F 1626a_106744479701_100015343762 [0,2,0,0,0,0|1,0,0]=3 6710 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)Cl 11a_103437851083_100015343762 [0,2,0,0,0,0|1,0,0]=3 6711 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)Cl 1626a_103437851083_100015343762 [0,2,0,0,0,0|1,0,0]=3 6712 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)F 11a_100000061523_100015343762 [0,2,0,0,0,0|1,0,0]=3 6713 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)Cl)F 1626a_100000061523_100015343762 [0,2,0,0,0,0|1,0,0]=3 6714 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)F)F 11a_100000062006_100015343762 [0,2,0,0,0,0|1,0,0]=3 6715 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)F)F 1626a_100000062006_100015343762 [0,2,0,0,0,0|1,0,0]=3 6716 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)Cl 11a_100010995236_100015343762 [0,2,0,0,0,0|1,0,0]=3 6717 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)Cl 1626a_100010995236_100015343762 [0,2,0,0,0,0|1,0,0]=3 6718 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)F 11a_100025793129_100015343762 [0,2,0,0,0,0|1,0,0]=3 6719 B13R1.885 CC(=O)Nc1c(ccc(c1F)Br)F 1626a_100025793129_100015343762 [0,2,0,0,0,0|1,0,0]=3 6720 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl 11a_100000062009_100015343762 [0,2,0,0,0,0|1,0,0]=3 6721 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl 1626a_100000062009_100015343762 [0,2,0,0,0,0|1,0,0]=3 6722 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)F 11a_102495364760_100015343762 [0,2,0,0,0,0|1,0,0]=3 6723 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)F 1626a_102495364760_100015343762 [0,2,0,0,0,0|1,0,0]=3 6724 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Br 11a_100011010633_100015343762 [0,2,0,0,0,0|1,0,0]=3 6725 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Br 1626a_100011010633_100015343762 [0,2,0,0,0,0|1,0,0]=3 6726 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Cl 11a_200000061452_100015343762 [0,2,0,0,0,0|1,0,0]=3 6727 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)Cl 1626a_200000061452_100015343762 [0,2,0,0,0,0|1,0,0]=3 6728 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)F 11a_102495364764_100015343762 [0,2,0,0,0,0|1,0,0]=3 6729 B13R1.885 CC(=O)Nc1c(ccc(c1F)Cl)F 1626a_102495364764_100015343762 [0,2,0,0,0,0|1,0,0]=3 6730 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Br 11a_100010008850_100015343762 [0,2,0,0,0,0|1,0,0]=3 6731 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Br 1626a_100010008850_100015343762 [0,2,0,0,0,0|1,0,0]=3 6732 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Cl 11a_200010381624_100015343762 [0,2,0,0,0,0|1,0,0]=3 6733 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)Cl 1626a_200010381624_100015343762 [0,2,0,0,0,0|1,0,0]=3 6734 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)F 11a_100000037384_100015343762 [0,2,0,0,0,0|1,0,0]=3 6735 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)F 1626a_100000037384_100015343762 [0,2,0,0,0,0|1,0,0]=3 6736 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)I 11a_100015763296_100015343762 [0,2,0,0,0,0|1,0,0]=3 6737 B13R1.885 CC(=O)Nc1c(ccc(c1F)F)I 1626a_100015763296_100015343762 [0,2,0,0,0,0|1,0,0]=3 6738 B13R1.885 CC(=O)Nc1c(ccc(c1O)Br)I 527a_100020748643_100103153847 [0,2,0,0,0,0|0,0,0]=2 6739 B13R1.885 Cc1c(ccc(c1NC(C)C)O)Br 34a_100013039247_100000210206 [0,2,0,0,0,0|1,0,1]=4 6740 B13R1.885 Cc1ccc(c(c1Cl)CC(=O)[13CH3])F 1458a_100000038137_200025704644 [0,2,0,0,0,0|2,0,0]=4 6741 B13R1.885 Cc1ccc(c(c1F)CC(=O)[13CH3])Cl 1458a_100000035286_200025704644 [0,2,0,0,0,0|2,0,0]=4 6742 B13R1.885 Cc1ccc(c(c1F)CC(=O)[13CH3])F 1458a_100011218906_200025704644 [0,2,0,0,0,0|2,0,0]=4 6743 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Br)F)F 1458a_100016070055_200025704644 [0,2,0,0,0,0|2,0,0]=4 6744 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Cl)Cl)F 1458a_100000062034_200025704644 [0,2,0,0,0,0|2,0,0]=4 6745 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000037411_200025704644 [0,2,0,0,0,0|2,0,0]=4 6746 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000038211_200025704644 [0,2,0,0,0,0|2,0,0]=4 6747 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)F)Br 1458a_100010177769_200025704644 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)F)F 1458a_100000042514_200025704644 [0,2,0,0,0,0|2,0,0]=4 6749 B13R1.894 CC(C)(C)Nc1cc(ccc1O)Br 34a_100000752626_100000210625 [0,2,0,0,0,0|1,0,1]=4 6750 B13R1.894 CC(C)(C)Nc1cc(ccc1O)Cl 34a_100000210500_100000210625 [0,2,0,0,0,0|1,0,1]=4 6751 B13R1.894 CC(C)(C)Nc1cc(ccc1O)F 34a_100000759472_100000210625 [0,2,0,0,0,0|1,0,1]=4 6752 B13R1.894 CS(=O)(=O)Nc1cc(ccc1Br)I 40a_100000750456_100000738038 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.894 CS(=O)(=O)Nc1cc(ccc1Cl)F 40a_100000751338_100000738038 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.894 CS(=O)(=O)Nc1cc(ccc1Cl)I 40a_200000761891_100000738038 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.894 CS(=O)(=O)Nc1cc(ccc1F)Br 40a_100000740924_100000738038 [0,2,0,0,0,0|2,0,0]=4 6756 B13R1.894 CS(=O)(=O)Nc1cc(ccc1F)F 40a_100000210742_100000738038 [0,2,0,0,0,0|2,0,0]=4 6757 B13R1.894 CS(=O)(=O)Nc1cc(ccc1F)I 40a_100011464823_100000738038 [0,2,0,0,0,0|2,0,0]=4 6758 B13R1.894 CS(=O)(=O)Nc1cc(ccc1I)F 40a_100011218093_100000738038 [0,2,0,0,0,0|2,0,0]=4 6759 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)O 34a_100011215204_100000210625 [0,2,0,0,0,0|1,0,1]=4 6760 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)C 40a_100000185781_100000738038 [0,2,0,0,0,0|2,0,0]=4 6761 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)Cl 40a_100011215360_100000738038 [0,2,0,0,0,0|2,0,0]=4 6762 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)F 40a_100000211285_100000738038 [0,2,0,0,0,0|2,0,0]=4 6763 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)I 40a_100011216686_100000738038 [0,2,0,0,0,0|2,0,0]=4 6764 B13R1.894 Cc1ccc(cc1NS(=O)(=O)C)F 40a_100000211107_100000738038 [0,2,0,0,0,0|2,0,0]=4 6765 B13R1.894 Cc1ccc(cc1NS(=O)(=O)C)I 40a_100000761890_100000738038 [0,2,0,0,0,0|2,0,0]=4 6766 B13R1.2816 CC(=Cc1cc(cc(c1O)Br)F)C 271570a_100102525489_200013085147 [0,2,0,0,0,0|2,0,0]=4 6767 B13R1.2816 CC(=Cc1cc(cc(c1O)C)C)C 271570a_100102525489_100011934984 [0,2,0,0,0,0|2,0,0]=4 6768 B13R1.2816 CC(=Cc1cc(cc(c1O)C)Cl)C 271570a_100102525489_100012343667 [0,2,0,0,0,0|2,0,0]=4 6769 B13R1.2816 CC(=Cc1cc(cc(c1O)C)N)C 271570a_100102525489_100010064301 [0,2,0,0,0,0|2,0,0]=4 6770 B13R1.2816 CC(=Cc1cc(cc(c1O)Cl)Cl)C 271570a_100102525489_200012339341 [0,2,0,0,0,0|2,0,0]=4 6771 B13R1.2816 CC(=Cc1cc(cc(c1O)F)Br)C 271570a_100102525489_100013354677 [0,2,0,0,0,0|2,0,0]=4 6772 B13R1.2816 CC(=Cc1cc(cc(c1O)F)C)C 271570a_100102525489_200135191068 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.2816 CC(=Cc1cc(cc(c1O)F)F)C 271570a_100102525489_100000688693 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.2816 CC(=Cc1cc(cc(c1O)N)F)C 271570a_100102525489_200011217456 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.2816 CC(=O)Cc1cc(cc(c1Br)F)F 1458a_100000070787_100015714476 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.2816 CC(=O)Cc1cc(cc(c1Cl)Br)I 1458a_100000070787_100021522891 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)C 1458a_100000070787_100015889675 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)F 1458a_100000070787_100009813678 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)F 1458a_100011217549_200000210301 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.2816 CC(=O)Cc1cc(cc(c1I)I)I 1458a_100000070787_100010206063 [0,2,0,0,0,0|2,0,0]=4 6781 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000070787_200009814416 [0,2,0,0,0,0|1,0,0]=3 6782 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200000210301 [0,2,0,0,0,0|1,0,0]=3 6783 B13R1.2816 CC(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200000210301 [0,2,0,0,0,0|1,0,0]=3 6784 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)Cl)Cl 11a_200010220950_100015343762 [0,2,0,0,0,0|1,0,0]=3 6785 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)Cl)Cl 1626a_200010220950_100015343762 [0,2,0,0,0,0|1,0,0]=3 6786 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)F)F 11a_100000716482_100015343762 [0,2,0,0,0,0|1,0,0]=3 6787 B13R1.2816 CC(=O)Nc1cc(cc(c1Br)F)F 1626a_100000716482_100015343762 [0,2,0,0,0,0|1,0,0]=3 6788 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Br 11a_100010206801_100015343762 [0,2,0,0,0,0|1,0,0]=3 6789 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Br 1626a_100010206801_100015343762 [0,2,0,0,0,0|1,0,0]=3 6790 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Br 527a_100010206801_100103153847 [0,2,0,0,0,0|1,0,0]=3 6791 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 11a_102495365385_100015343762 [0,2,0,0,0,0|1,0,0]=3 6792 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 1626a_102495365385_100015343762 [0,2,0,0,0,0|1,0,0]=3 6793 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 22a_102495365385_100000070787 [0,2,0,0,0,0|1,0,0]=3 6794 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 527a_102495365385_100103153847 [0,2,0,0,0,0|1,0,0]=3 6795 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Cl 11a_100010063005_100015343762 [0,2,0,0,0,0|1,0,0]=3 6796 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Cl 1626a_100010063005_100015343762 [0,2,0,0,0,0|1,0,0]=3 6797 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)Cl 527a_100010063005_100103153847 [0,2,0,0,0,0|1,0,0]=3 6798 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 11a_100009814351_100015343762 [0,2,0,0,0,0|1,0,0]=3 6799 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 1626a_100009814351_100015343762 [0,2,0,0,0,0|1,0,0]=3 6800 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 22a_100009814351_100000070787 [0,2,0,0,0,0|1,0,0]=3 6801 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)F 527a_100009814351_100103153847 [0,2,0,0,0,0|1,0,0]=3 6802 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 11a_100000035412_100015343762 [0,2,0,0,0,0|1,0,0]=3 6803 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 1626a_100000035412_100015343762 [0,2,0,0,0,0|1,0,0]=3 6804 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 22a_100000035412_100000070787 [0,2,0,0,0,0|1,0,0]=3 6805 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Cl)Cl 11a_200009956477_100015343762 [0,2,0,0,0,0|1,0,0]=3 6806 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Cl)Cl 1626a_200009956477_100015343762 [0,2,0,0,0,0|1,0,0]=3 6807 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br 11a_100009813729_100015343762 [0,2,0,0,0,0|1,0,0]=3 6808 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br 1626a_100009813729_100015343762 [0,2,0,0,0,0|1,0,0]=3 6809 B13R1.2816 CC(=O)Nc1cc(cc(c1C)F)Br 527a_100009813729_100103153847 [0,2,0,0,0,0|1,0,0]=3 6810 B13R1.2816 CC(=O)Nc1cc(cc(c1C)I)Cl 11a_200000050010_100015343762 [0,2,0,0,0,0|1,0,0]=3 6811 B13R1.2816 CC(=O)Nc1cc(cc(c1C)I)Cl 1626a_200000050010_100015343762 [0,2,0,0,0,0|1,0,0]=3 6812 B13R1.2816 CC(=O)Nc1cc(cc(c1C)I)Cl 527a_200000050010_100103153847 [0,2,0,0,0,0|1,0,0]=3 6813 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)Cl)Cl 11a_106623411496_100015343762 [0,2,0,0,0,0|1,0,0]=3 6814 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)Cl)Cl 1626a_106623411496_100015343762 [0,2,0,0,0,0|1,0,0]=3 6815 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)F)F 11a_100000037168_100015343762 [0,2,0,0,0,0|1,0,0]=3 6816 B13R1.2816 CC(=O)Nc1cc(cc(c1Cl)F)F 1626a_100000037168_100015343762 [0,2,0,0,0,0|1,0,0]=3 6817 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 11a_100010589139_100015343762 [0,2,0,0,0,0|1,0,0]=3 6818 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 1626a_100010589139_100015343762 [0,2,0,0,0,0|1,0,0]=3 6819 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 22a_100010589139_100000070787 [0,2,0,0,0,0|1,0,0]=3 6820 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)Cl 11a_100010110407_100015343762 [0,2,0,0,0,0|1,0,0]=3 6821 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)Cl 1626a_100010110407_100015343762 [0,2,0,0,0,0|1,0,0]=3 6822 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)F 11a_100000722353_100015343762 [0,2,0,0,0,0|1,0,0]=3 6823 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)F 1626a_100000722353_100015343762 [0,2,0,0,0,0|1,0,0]=3 6824 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)F 22a_100000722353_100000070787 [0,2,0,0,0,0|1,0,0]=3 6825 B13R1.2816 CC(=O)Nc1cc(cc(c1F)C)Br 11a_100010381932_100015343762 [0,2,0,0,0,0|1,0,0]=3 6826 B13R1.2816 CC(=O)Nc1cc(cc(c1F)C)Br 1626a_100010381932_100015343762 [0,2,0,0,0,0|1,0,0]=3 6827 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Cl)Cl 11a_100010713094_100015343762 [0,2,0,0,0,0|1,0,0]=3 6828 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Cl)Cl 1626a_100010713094_100015343762 [0,2,0,0,0,0|1,0,0]=3 6829 B13R1.2816 CC(=O)Nc1cc(cc(c1F)F)F 11a_100000037171_100015343762 [0,2,0,0,0,0|1,0,0]=3 6830 B13R1.2816 CC(=O)Nc1cc(cc(c1F)F)F 1626a_100000037171_100015343762 [0,2,0,0,0,0|1,0,0]=3 6831 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)Cl 11a_100011155807_100015343762 [0,2,0,0,0,0|1,0,0]=3 6832 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)Cl 1626a_100011155807_100015343762 [0,2,0,0,0,0|1,0,0]=3 6833 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)F 11a_200010740111_100015343762 [0,2,0,0,0,0|1,0,0]=3 6834 B13R1.2816 CC(=O)Nc1cc(cc(c1I)Br)F 1626a_200010740111_100015343762 [0,2,0,0,0,0|1,0,0]=3 6835 B13R1.2816 CC(=O)Nc1cc(cc(c1I)C)Cl 11a_100000698757_100015343762 [0,2,0,0,0,0|1,0,0]=3 6836 B13R1.2816 CC(=O)Nc1cc(cc(c1I)C)Cl 1626a_100000698757_100015343762 [0,2,0,0,0,0|1,0,0]=3 6837 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C 11a_100021129147_100015343762 [0,2,0,0,0,0|1,0,0]=3 6838 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C 1626a_100021129147_100015343762 [0,2,0,0,0,0|1,0,0]=3 6839 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)Cl 11a_200021297760_100015343762 [0,2,0,0,0,0|1,0,0]=3 6840 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)Cl 1626a_200021297760_100015343762 [0,2,0,0,0,0|1,0,0]=3 6841 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)F 11a_100016149863_100015343762 [0,2,0,0,0,0|1,0,0]=3 6842 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)F 1626a_100016149863_100015343762 [0,2,0,0,0,0|1,0,0]=3 6843 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000070787 [0,2,0,0,0,0|0,0,0]=2 6844 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100103153847 [0,2,0,0,0,0|0,0,0]=2 6845 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000070787 [0,2,0,0,0,0|0,0,0]=2 6846 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100103153847 [0,2,0,0,0,0|0,0,0]=2 6847 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000070787 [0,2,0,0,0,0|0,0,0]=2 6848 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 527a_200011217456_100103153847 [0,2,0,0,0,0|0,0,0]=2 6849 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 11a_100011825904_100015343762 [0,2,0,0,0,0|0,0,0]=2 6850 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 22a_100011825904_100000070787 [0,2,0,0,0,0|0,0,0]=2 6851 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 527a_100011825904_100103153847 [0,2,0,0,0,0|0,0,0]=2 6852 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [0,2,0,0,0,0|0,0,0]=2 6853 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [0,2,0,0,0,0|0,0,0]=2 6854 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [0,2,0,0,0,0|0,0,0]=2 6855 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 11a_100000130126_100015343762 [0,2,0,0,0,0|0,0,0]=2 6856 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 22a_100000130126_100000070787 [0,2,0,0,0,0|0,0,0]=2 6857 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 527a_100000130126_100103153847 [0,2,0,0,0,0|0,0,0]=2 6858 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000070787 [0,2,0,0,0,0|0,0,0]=2 6859 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100103153847 [0,2,0,0,0,0|0,0,0]=2 6860 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000070787 [0,2,0,0,0,0|0,0,0]=2 6861 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100103153847 [0,2,0,0,0,0|0,0,0]=2 6862 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000070787 [0,2,0,0,0,0|0,0,0]=2 6863 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 527a_100011217383_100103153847 [0,2,0,0,0,0|0,0,0]=2 6864 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 1626a_100015205836_100015343762 [0,2,0,0,0,0|0,0,0]=2 6865 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 22a_100015205836_100000070787 [0,2,0,0,0,0|0,0,0]=2 6866 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 527a_100015205836_100103153847 [0,2,0,0,0,0|0,0,0]=2 6867 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000070787 [0,2,0,0,0,0|0,0,0]=2 6868 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 527a_100016071998_100103153847 [0,2,0,0,0,0|0,0,0]=2 6869 B13R1.2816 CC(C)Nc1cc(cc(c1O)Br)Br 34a_100010781877_100000210206 [0,2,0,0,0,0|1,0,1]=4 6870 B13R1.2816 CC(C)Nc1cc(cc(c1O)Br)Cl 34a_106741647128_100000210206 [0,2,0,0,0,0|1,0,1]=4 6871 B13R1.2816 CC(C)Nc1cc(cc(c1O)Br)F 34a_200011217456_100000210206 [0,2,0,0,0,0|1,0,1]=4 6872 B13R1.2816 CC(C)Nc1cc(cc(c1O)Cl)Br 34a_100000694353_100000210206 [0,2,0,0,0,0|1,0,1]=4 6873 B13R1.2816 CC(C)Nc1cc(cc(c1O)Cl)Cl 34a_100000695819_100000210206 [0,2,0,0,0,0|1,0,1]=4 6874 B13R1.2816 CC(C)Nc1cc(cc(c1O)F)Br 34a_100011217383_100000210206 [0,2,0,0,0,0|1,0,1]=4 6875 B13R1.2816 CC(C)Nc1cc(cc(c1O)F)Br 7a_100011217383_100000210206 [0,2,0,0,0,0|1,0,1]=4 6876 B13R1.2816 CC(C)Nc1cc(cc(c1O)F)F 34a_100015205836_100000210206 [0,2,0,0,0,0|1,0,1]=4 6877 B13R1.2816 Cc1cc(c(c(c1)NC(C)C)O)C 34a_100011216242_100000210206 [0,2,0,0,0,0|1,0,1]=4 6878 B13R1.2816 Cc1cc(c(c(c1)NC(C)C)O)C 7a_100011216242_100000210206 [0,2,0,0,0,0|1,0,1]=4 6879 B13R1.2816 Cc1cc(cc(c1O)NC(C)C)Br 34a_100011825904_100000210206 [0,2,0,0,0,0|1,0,1]=4 6880 B13R1.2816 Cc1cc(cc(c1O)NC(C)C)Br 7a_100011825904_100000210206 [0,2,0,0,0,0|1,0,1]=4 6881 B13R1.2816 Cc1cc(cc(c1O)NC(C)C)F 34a_100000130126_100000210206 [0,2,0,0,0,0|1,0,1]=4 6882 B13R1.2816 Cc1cc(cc(c1O)NC(C)C)F 7a_100000130126_100000210206 [0,2,0,0,0,0|1,0,1]=4 6883 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1F)F)F 1458a_100011217549_200025704644 [0,2,0,0,0,0|2,0,0]=4 6884 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200025704644 [0,2,0,0,0,0|1,0,0]=3 6885 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200025704644 [0,2,0,0,0,0|1,0,0]=3 6886 B13R1.2872 C#CC(=O)Cc1cc(ccc1O)F 1458a_100000211873_100010161318 [0,2,0,0,0,0|1,0,1]=4 6887 B13R1.2872 C#CC(C)Nc1cc(ccc1O)Br 34a_100000752626_200000035995 [0,2,0,0,0,0|1,0,1]=4 6888 B13R1.2872 C#CC(C)Nc1cc(ccc1O)C 34a_100011215204_200000035995 [0,2,0,0,0,0|1,0,1]=4 6889 B13R1.2872 C#CC(C)Nc1cc(ccc1O)Cl 34a_100000210500_200000035995 [0,2,0,0,0,0|1,0,1]=4 6890 B13R1.2872 C#CC(C)Nc1cc(ccc1O)F 34a_100000759472_200000035995 [0,2,0,0,0,0|1,0,1]=4 6891 B13R1.2872 C=CC(=O)Cc1cc(ccc1O)F 1458a_100000185746_100010161318 [0,2,0,0,0,0|1,0,1]=4 6892 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100000185746 [0,2,0,0,0,0|1,0,1]=4 6893 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000185746 [0,2,0,0,0,0|1,0,1]=4 6894 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100000185746 [0,2,0,0,0,0|1,0,1]=4 6895 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100000185746 [0,2,0,0,0,0|1,0,1]=4 6896 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100000185746 [0,2,0,0,0,0|1,0,1]=4 6897 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000185746 [0,2,0,0,0,0|1,0,1]=4 6898 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000185746 [0,2,0,0,0,0|1,0,1]=4 6899 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000185746 [0,2,0,0,0,0|1,0,1]=4 6900 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000185746 [0,2,0,0,0,0|1,0,1]=4 6901 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000185746 [0,2,0,0,0,0|1,0,1]=4 6902 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000185746 [0,2,0,0,0,0|1,0,1]=4 6903 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000185746 [0,2,0,0,0,0|1,0,1]=4 6904 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000185746 [0,2,0,0,0,0|1,0,1]=4 6905 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000185746 [0,2,0,0,0,0|1,0,1]=4 6906 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000185746 [0,2,0,0,0,0|1,0,1]=4 6907 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000185746 [0,2,0,0,0,0|1,0,1]=4 6908 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000185746 [0,2,0,0,0,0|1,0,1]=4 6909 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100000185746 [0,2,0,0,0,0|1,0,1]=4 6910 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000185746 [0,2,0,0,0,0|1,0,1]=4 6911 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000185746 [0,2,0,0,0,0|1,0,1]=4 6912 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100000185746 [0,2,0,0,0,0|1,0,1]=4 6913 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100000185746 [0,2,0,0,0,0|1,0,1]=4 6914 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100000185746 [0,2,0,0,0,0|1,0,1]=4 6915 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000185746 [0,2,0,0,0,0|1,0,1]=4 6916 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000185746 [0,2,0,0,0,0|1,0,1]=4 6917 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000185746 [0,2,0,0,0,0|1,0,1]=4 6918 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000185746 [0,2,0,0,0,0|1,0,1]=4 6919 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000185746 [0,2,0,0,0,0|1,0,1]=4 6920 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000185746 [0,2,0,0,0,0|1,0,1]=4 6921 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000185746 [0,2,0,0,0,0|1,0,1]=4 6922 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000185746 [0,2,0,0,0,0|1,0,1]=4 6923 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000185746 [0,2,0,0,0,0|1,0,1]=4 6924 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000185746 [0,2,0,0,0,0|1,0,1]=4 6925 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100000185746 [0,2,0,0,0,0|1,0,1]=4 6926 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000185746 [0,2,0,0,0,0|1,0,1]=4 6927 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100000185746 [0,2,0,0,0,0|1,0,1]=4 6928 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000185746 [0,2,0,0,0,0|1,0,1]=4 6929 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100000185746 [0,2,0,0,0,0|1,0,1]=4 6930 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000185746 [0,2,0,0,0,0|0,0,1]=3 6931 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,2,0,0,0,0|0,0,1]=3 6932 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000185746 [0,2,0,0,0,0|0,0,1]=3 6933 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000185746 [0,2,0,0,0,0|0,0,1]=3 6934 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000185746 [0,2,0,0,0,0|0,0,1]=3 6935 B13R1.2872 CC(=Cc1cc(ccc1O)I)C#N 6a_100011215628_200000212204 [0,2,0,0,0,0|2,0,0]=4 6936 B13R1.2872 CC(CO)Nc1cc(ccc1O)Br 34a_100000752626_100012180447 [0,2,0,0,0,0|0,0,2]=4 6937 B13R1.2872 CC(CO)Nc1cc(ccc1O)Cl 34a_100000210500_100012180447 [0,2,0,0,0,0|0,0,2]=4 6938 B13R1.2872 CC(CO)Nc1cc(ccc1O)F 34a_100000759472_100012180447 [0,2,0,0,0,0|0,0,2]=4 6939 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100000210414_100011982794 [0,2,0,0,0,0|2,0,0]=4 6940 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_100000210202 [0,2,0,0,0,0|2,0,0]=4 6941 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_100000210202 [0,2,0,0,0,0|2,0,0]=4 6942 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000210414_100000733903 [0,2,0,0,0,0|2,0,0]=4 6943 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_100000210202 [0,2,0,0,0,0|2,0,0]=4 6944 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000210414_100000736370 [0,2,0,0,0,0|2,0,0]=4 6945 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_100000210202 [0,2,0,0,0,0|2,0,0]=4 6946 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)I 1458a_100000210414_100012355412 [0,2,0,0,0,0|2,0,0]=4 6947 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_100000210202 [0,2,0,0,0,0|2,0,0]=4 6948 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000210414_100000184699 [0,2,0,0,0,0|2,0,0]=4 6949 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000749331_100000210202 [0,2,0,0,0,0|2,0,0]=4 6950 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Cl 1458a_100000210414_100012186985 [0,2,0,0,0,0|2,0,0]=4 6951 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100000210414_100000709795 [0,2,0,0,0,0|2,0,0]=4 6952 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100011219217_100000210202 [0,2,0,0,0,0|2,0,0]=4 6953 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100000210414_100000763347 [0,2,0,0,0,0|2,0,0]=4 6954 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_100000210202 [0,2,0,0,0,0|2,0,0]=4 6955 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)C 1458a_100000210414_100009871730 [0,2,0,0,0,0|2,0,0]=4 6956 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000210414_100000754809 [0,2,0,0,0,0|2,0,0]=4 6957 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100000210202 [0,2,0,0,0,0|2,0,0]=4 6958 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100000210414_100000709952 [0,2,0,0,0,0|2,0,0]=4 6959 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_100000210202 [0,2,0,0,0,0|2,0,0]=4 6960 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)I 1458a_100000210414_100010188191 [0,2,0,0,0,0|2,0,0]=4 6961 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000210414_100000736399 [0,2,0,0,0,0|2,0,0]=4 6962 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_100000210202 [0,2,0,0,0,0|2,0,0]=4 6963 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100000210414_100011260760 [0,2,0,0,0,0|2,0,0]=4 6964 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100011667363_100000210202 [0,2,0,0,0,0|2,0,0]=4 6965 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100000210414_100000716957 [0,2,0,0,0,0|2,0,0]=4 6966 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_100000210202 [0,2,0,0,0,0|2,0,0]=4 6967 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000210414_100000741279 [0,2,0,0,0,0|2,0,0]=4 6968 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000762760_100000210202 [0,2,0,0,0,0|2,0,0]=4 6969 B13R1.2872 CCC(=O)Cc1cc(ccc1F)I 1458a_100000210414_200010149601 [0,2,0,0,0,0|2,0,0]=4 6970 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Br 1458a_100000210414_100012362523 [0,2,0,0,0,0|2,0,0]=4 6971 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Cl 1458a_100000210414_100012348826 [0,2,0,0,0,0|2,0,0]=4 6972 B13R1.2872 CCC(=O)Cc1cc(ccc1I)F 1458a_100000210414_100010149606 [0,2,0,0,0,0|2,0,0]=4 6973 B13R1.2872 CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210202 [0,2,0,0,0,0|1,0,0]=3 6974 B13R1.2872 CCC(=O)Cc1cc(ccc1O)F 1458a_100000210414_100010161318 [0,2,0,0,0,0|1,0,0]=3 6975 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [0,2,0,0,0,0|1,0,0]=3 6976 B13R1.2872 CCC(=O)Cc1nc(ccc1O)C 1458a_100000210414_100020630696 [0,2,0,0,0,0|2,0,0]=4 6977 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100000210414 [0,2,0,0,0,0|1,0,0]=3 6978 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100000210414 [0,2,0,0,0,0|1,0,0]=3 6979 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100000210414 [0,2,0,0,0,0|1,0,0]=3 6980 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000210414 [0,2,0,0,0,0|1,0,0]=3 6981 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100000210414 [0,2,0,0,0,0|1,0,0]=3 6982 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100000210414 [0,2,0,0,0,0|1,0,0]=3 6983 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100000210414 [0,2,0,0,0,0|1,0,0]=3 6984 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100000210414 [0,2,0,0,0,0|1,0,0]=3 6985 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100000210414 [0,2,0,0,0,0|1,0,0]=3 6986 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100000210414 [0,2,0,0,0,0|1,0,0]=3 6987 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000210414 [0,2,0,0,0,0|1,0,0]=3 6988 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100000210414 [0,2,0,0,0,0|1,0,0]=3 6989 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100000210414 [0,2,0,0,0,0|1,0,0]=3 6990 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000210414 [0,2,0,0,0,0|1,0,0]=3 6991 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000210414 [0,2,0,0,0,0|1,0,0]=3 6992 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100000210414 [0,2,0,0,0,0|1,0,0]=3 6993 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 11a_100000185781_100000210414 [0,2,0,0,0,0|1,0,0]=3 6994 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000210414 [0,2,0,0,0,0|1,0,0]=3 6995 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000210414 [0,2,0,0,0,0|1,0,0]=3 6996 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100000210414 [0,2,0,0,0,0|1,0,0]=3 6997 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000210414 [0,2,0,0,0,0|1,0,0]=3 6998 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000210414 [0,2,0,0,0,0|1,0,0]=3 6999 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100000210414 [0,2,0,0,0,0|1,0,0]=3 7000 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 11a_100000211107_100000210414 [0,2,0,0,0,0|1,0,0]=3 7001 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000210414 [0,2,0,0,0,0|1,0,0]=3 7002 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000210414 [0,2,0,0,0,0|1,0,0]=3 7003 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 11a_100000761890_100000210414 [0,2,0,0,0,0|1,0,0]=3 7004 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000210414 [0,2,0,0,0,0|1,0,0]=3 7005 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000210414 [0,2,0,0,0,0|1,0,0]=3 7006 B13R1.2872 CCC(=O)Nc1cc(ccc1C)I 527a_100000761890_100000210414 [0,2,0,0,0,0|1,0,0]=3 7007 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210414 [0,2,0,0,0,0|1,0,0]=3 7008 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210414 [0,2,0,0,0,0|1,0,0]=3 7009 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100000210414 [0,2,0,0,0,0|1,0,0]=3 7010 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100000210414 [0,2,0,0,0,0|1,0,0]=3 7011 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100000210414 [0,2,0,0,0,0|1,0,0]=3 7012 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000210414 [0,2,0,0,0,0|1,0,0]=3 7013 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000210414 [0,2,0,0,0,0|1,0,0]=3 7014 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100000210414 [0,2,0,0,0,0|1,0,0]=3 7015 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100000210414 [0,2,0,0,0,0|1,0,0]=3 7016 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100000210414 [0,2,0,0,0,0|1,0,0]=3 7017 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100000210414 [0,2,0,0,0,0|1,0,0]=3 7018 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100000210414 [0,2,0,0,0,0|1,0,0]=3 7019 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100000210414 [0,2,0,0,0,0|1,0,0]=3 7020 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100000210414 [0,2,0,0,0,0|1,0,0]=3 7021 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100000210414 [0,2,0,0,0,0|1,0,0]=3 7022 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000210414 [0,2,0,0,0,0|1,0,0]=3 7023 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000210414 [0,2,0,0,0,0|1,0,0]=3 7024 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 11a_100000211285_100000210414 [0,2,0,0,0,0|1,0,0]=3 7025 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000210414 [0,2,0,0,0,0|1,0,0]=3 7026 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000210414 [0,2,0,0,0,0|1,0,0]=3 7027 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 527a_100000211285_100000210414 [0,2,0,0,0,0|1,0,0]=3 7028 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100000210414 [0,2,0,0,0,0|1,0,0]=3 7029 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000210414 [0,2,0,0,0,0|1,0,0]=3 7030 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 11a_100000210742_100000210414 [0,2,0,0,0,0|1,0,0]=3 7031 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000210414 [0,2,0,0,0,0|1,0,0]=3 7032 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000210414 [0,2,0,0,0,0|1,0,0]=3 7033 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 11a_100011464823_100000210414 [0,2,0,0,0,0|1,0,0]=3 7034 B13R1.2872 CCC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000210414 [0,2,0,0,0,0|1,0,0]=3 7035 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210414 [0,2,0,0,0,0|1,0,0]=3 7036 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210414 [0,2,0,0,0,0|1,0,0]=3 7037 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210414 [0,2,0,0,0,0|1,0,0]=3 7038 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100000210414 [0,2,0,0,0,0|1,0,0]=3 7039 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100000210414 [0,2,0,0,0,0|1,0,0]=3 7040 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 11a_100011216686_100000210414 [0,2,0,0,0,0|1,0,0]=3 7041 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000210414 [0,2,0,0,0,0|1,0,0]=3 7042 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100000210414 [0,2,0,0,0,0|1,0,0]=3 7043 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100000210414 [0,2,0,0,0,0|1,0,0]=3 7044 B13R1.2872 CCC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000210414 [0,2,0,0,0,0|1,0,0]=3 7045 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F 11a_100011218093_100000210414 [0,2,0,0,0,0|1,0,0]=3 7046 B13R1.2872 CCC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100000210414 [0,2,0,0,0,0|1,0,0]=3 7047 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [0,2,0,0,0,0|0,0,0]=2 7048 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [0,2,0,0,0,0|0,0,0]=2 7049 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,2,0,0,0,0|0,0,0]=2 7050 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,2,0,0,0,0|0,0,0]=2 7051 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [0,2,0,0,0,0|0,0,0]=2 7052 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [0,2,0,0,0,0|0,0,0]=2 7053 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [0,2,0,0,0,0|0,0,0]=2 7054 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [0,2,0,0,0,0|0,0,0]=2 7055 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [0,2,0,0,0,0|0,0,0]=2 7056 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [0,2,0,0,0,0|0,0,0]=2 7057 B13R1.2872 CCC(C)Nc1cc(ccc1O)Br 34a_100000752626_100011215416 [0,2,0,0,0,0|1,0,1]=4 7058 B13R1.2872 CCC(C)Nc1cc(ccc1O)C 34a_100011215204_100011215416 [0,2,0,0,0,0|1,0,1]=4 7059 B13R1.2872 CCC(C)Nc1cc(ccc1O)Cl 34a_100000210500_100011215416 [0,2,0,0,0,0|1,0,1]=4 7060 B13R1.2872 CCC(C)Nc1cc(ccc1O)F 34a_100000759472_100011215416 [0,2,0,0,0,0|1,0,1]=4 7061 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,2,0,0,0,0|2,0,0]=4 7063 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,2,0,0,0,0|2,0,0]=4 7064 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,2,0,0,0,0|2,0,0]=4 7065 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,2,0,0,0,0|2,0,0]=4 7066 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,2,0,0,0,0|2,0,0]=4 7067 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,2,0,0,0,0|2,0,0]=4 7068 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,2,0,0,0,0|2,0,0]=4 7069 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,2,0,0,0,0|2,0,0]=4 7070 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,2,0,0,0,0|2,0,0]=4 7071 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,2,0,0,0,0|2,0,0]=4 7072 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,2,0,0,0,0|2,0,0]=4 7073 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,2,0,0,0,0|2,0,0]=4 7074 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,2,0,0,0,0|2,0,0]=4 7075 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,2,0,0,0,0|2,0,0]=4 7076 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,2,0,0,0,0|2,0,0]=4 7077 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,2,0,0,0,0|2,0,0]=4 7078 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,2,0,0,0,0|2,0,0]=4 7079 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,2,0,0,0,0|2,0,0]=4 7080 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,2,0,0,0,0|2,0,0]=4 7081 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,2,0,0,0,0|2,0,0]=4 7082 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,2,0,0,0,0|2,0,0]=4 7083 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,2,0,0,0,0|2,0,0]=4 7084 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,2,0,0,0,0|2,0,0]=4 7085 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,2,0,0,0,0|2,0,0]=4 7086 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,2,0,0,0,0|2,0,0]=4 7087 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,2,0,0,0,0|2,0,0]=4 7088 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,2,0,0,0,0|2,0,0]=4 7089 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,2,0,0,0,0|2,0,0]=4 7090 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,2,0,0,0,0|2,0,0]=4 7091 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,2,0,0,0,0|2,0,0]=4 7092 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,2,0,0,0,0|2,0,0]=4 7093 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,2,0,0,0,0|2,0,0]=4 7094 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,2,0,0,0,0|2,0,0]=4 7095 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,2,0,0,0,0|2,0,0]=4 7096 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,2,0,0,0,0|2,0,0]=4 7097 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,2,0,0,0,0|2,0,0]=4 7098 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,2,0,0,0,0|2,0,0]=4 7099 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,2,0,0,0,0|2,0,0]=4 7100 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,2,0,0,0,0|2,0,0]=4 7101 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,2,0,0,0,0|2,0,0]=4 7102 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,2,0,0,0,0|2,0,0]=4 7103 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,2,0,0,0,0|2,0,0]=4 7104 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,2,0,0,0,0|2,0,0]=4 7105 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,2,0,0,0,0|2,0,0]=4 7106 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,2,0,0,0,0|2,0,0]=4 7107 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,2,0,0,0,0|2,0,0]=4 7108 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,2,0,0,0,0|2,0,0]=4 7109 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,2,0,0,0,0|2,0,0]=4 7110 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,2,0,0,0,0|2,0,0]=4 7111 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,2,0,0,0,0|2,0,0]=4 7112 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,2,0,0,0,0|2,0,0]=4 7113 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,2,0,0,0,0|2,0,0]=4 7114 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,2,0,0,0,0|2,0,0]=4 7115 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,2,0,0,0,0|2,0,0]=4 7116 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,2,0,0,0,0|1,0,0]=3 7117 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)Br 2430a_100000737762_100102657272 [0,2,0,0,0,0|1,0,0]=3 7118 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [0,2,0,0,0,0|1,0,0]=3 7119 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)F 2430a_100000687223_100102657272 [0,2,0,0,0,0|1,0,0]=3 7120 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 2430a_100000750456_100102657272 [0,2,0,0,0,0|1,0,0]=3 7121 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 512a_100000750456_100102657272 [0,2,0,0,0,0|1,0,0]=3 7122 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,2,0,0,0,0|1,0,0]=3 7123 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 2430a_100000741167_100102657272 [0,2,0,0,0,0|1,0,0]=3 7124 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 512a_100000741167_100102657272 [0,2,0,0,0,0|1,0,0]=3 7125 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [0,2,0,0,0,0|1,0,0]=3 7126 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl 2430a_100000211374_100102657272 [0,2,0,0,0,0|1,0,0]=3 7127 B13R1.2872 CNC(=O)Nc1cc(ccc1C)F 2430a_100000211107_100102657272 [0,2,0,0,0,0|1,0,0]=3 7128 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 2430a_100000761890_100102657272 [0,2,0,0,0,0|1,0,0]=3 7129 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 512a_100000761890_100102657272 [0,2,0,0,0,0|1,0,0]=3 7130 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,2,0,0,0,0|1,0,0]=3 7131 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,2,0,0,0,0|1,0,0]=3 7132 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,2,0,0,0,0|1,0,0]=3 7133 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,2,0,0,0,0|1,0,0]=3 7134 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,2,0,0,0,0|1,0,0]=3 7135 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,2,0,0,0,0|1,0,0]=3 7136 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 2430a_100000740924_100102657272 [0,2,0,0,0,0|1,0,0]=3 7137 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 512a_100000740924_100102657272 [0,2,0,0,0,0|1,0,0]=3 7138 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [0,2,0,0,0,0|1,0,0]=3 7139 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Cl 2430a_100000212115_100102657272 [0,2,0,0,0,0|1,0,0]=3 7140 B13R1.2872 CNC(=O)Nc1cc(ccc1F)F 2430a_100000210742_100102657272 [0,2,0,0,0,0|1,0,0]=3 7141 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 2430a_100011464823_100102657272 [0,2,0,0,0,0|1,0,0]=3 7142 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 512a_100011464823_100102657272 [0,2,0,0,0,0|1,0,0]=3 7143 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,2,0,0,0,0|1,0,0]=3 7144 B13R1.2872 CNC(=O)Nc1cc(ccc1I)Br 512a_100000743836_100102657272 [0,2,0,0,0,0|1,0,0]=3 7145 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [0,2,0,0,0,0|1,0,0]=3 7146 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 2430a_100011218093_100102657272 [0,2,0,0,0,0|1,0,0]=3 7147 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 512a_100011218093_100102657272 [0,2,0,0,0,0|1,0,0]=3 7148 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,2,0,0,0,0|0,0,0]=2 7149 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,2,0,0,0,0|0,0,0]=2 7150 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,2,0,0,0,0|0,0,0]=2 7151 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,2,0,0,0,0|0,0,0]=2 7152 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,2,0,0,0,0|0,0,0]=2 7153 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [0,2,0,0,0,0|1,0,0]=3 7154 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)Br 1458a_100010004923_100015361967 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)C 1458a_100000749331_100015361967 [0,2,0,0,0,0|2,0,0]=4 7156 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)F 1458a_100011667363_100015361967 [0,2,0,0,0,0|2,0,0]=4 7157 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,2,0,0,0,0|2,0,0]=4 7158 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,2,0,0,0,0|2,0,0]=4 7159 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,2,0,0,0,0|2,0,0]=4 7160 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,2,0,0,0,0|1,0,0]=3 7161 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,2,0,0,0,0|1,0,0]=3 7162 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,2,0,0,0,0|1,0,0]=3 7163 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,2,0,0,0,0|1,0,0]=3 7164 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,2,0,0,0,0|0,0,0]=2 7165 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,2,0,0,0,0|0,0,0]=2 7166 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)O 34a_100011215204_100012180447 [0,2,0,0,0,0|0,0,2]=4 7167 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)O 1458a_100000210174_100020630696 [0,2,0,0,0,0|2,0,0]=4 7168 B13R1.2872 Cc1ccc(cc1CC(=O)CF)Br 1458a_100010244045_100015361967 [0,2,0,0,0,0|2,0,0]=4 7169 B13R1.2872 Cc1ccc(cc1CC(=O)CF)F 1458a_100011219217_100015361967 [0,2,0,0,0,0|2,0,0]=4 7170 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,2,0,0,0,0|2,0,0]=4 7171 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,2,0,0,0,0|2,0,0]=4 7172 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,2,0,0,0,0|1,0,0]=3 7173 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,2,0,0,0,0|1,0,0]=3 7174 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,2,0,0,0,0|1,0,0]=3 7175 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,2,0,0,0,0|1,0,0]=3 7176 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,2,0,0,0,0|1,0,0]=3 7177 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,2,0,0,0,0|1,0,0]=3 7178 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,2,0,0,0,0|1,0,0]=3 7179 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,2,0,0,0,0|1,0,0]=3 7180 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,2,0,0,0,0|1,0,0]=3 7181 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Br 1458a_100010004897_100015361967 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Cl 1458a_100000690875_100015361967 [0,2,0,0,0,0|2,0,0]=4 7183 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)F 1458a_100000690878_100015361967 [0,2,0,0,0,0|2,0,0]=4 7184 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Br 1458a_100011600618_100015361967 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100015361967 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)F 1458a_100011830335_100015361967 [0,2,0,0,0,0|2,0,0]=4 7187 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Br 1458a_100000690877_100015361967 [0,2,0,0,0,0|2,0,0]=4 7188 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Cl 1458a_100011217548_100015361967 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.2872 O=C(CF)Cc1cc(ccc1F)F 1458a_100000762760_100015361967 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.2872 O=C(CF)Cc1cc(ccc1O)Br 1458a_100010072483_100015361967 [0,2,0,0,0,0|1,0,0]=3 7191 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [0,2,0,0,0,0|1,0,0]=3 7192 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,2,0,0,0,0|2,0,0]=4 7196 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,2,0,0,0,0|2,0,0]=4 7197 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,2,0,0,0,0|2,0,0]=4 7198 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,2,0,0,0,0|2,0,0]=4 7200 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,2,0,0,0,0|2,0,0]=4 7202 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,2,0,0,0,0|2,0,0]=4 7207 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,2,0,0,0,0|1,0,0]=3 7208 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,2,0,0,0,0|1,0,0]=3 7209 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,2,0,0,0,0|1,0,0]=3 7210 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,2,0,0,0,0|1,0,0]=3 7211 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,2,0,0,0,0|1,0,0]=3 7212 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,2,0,0,0,0|1,0,0]=3 7213 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,2,0,0,0,0|1,0,0]=3 7214 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,2,0,0,0,0|1,0,0]=3 7215 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,2,0,0,0,0|1,0,0]=3 7216 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,2,0,0,0,0|0,0,0]=2 7217 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,2,0,0,0,0|0,0,0]=2 7218 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,2,0,0,0,0|0,0,0]=2 7219 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,2,0,0,0,0|0,0,0]=2 7220 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,2,0,0,0,0|0,0,0]=2 7221 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,2,0,0,0,0|0,0,0]=2 7222 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,2,0,0,0,0|0,0,0]=2 7223 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,2,0,0,0,0|0,0,0]=2 7224 B13R1.151 CC(C)(C)Nc1cccc(c1O)Br 34a_100011934915_100000210625 [0,2,0,0,0,0|1,0,1]=4 7225 B13R1.151 CC(C)(C)Nc1cccc(c1O)Cl 34a_100000754742_100000210625 [0,2,0,0,0,0|1,0,1]=4 7226 B13R1.151 CC(C)(C)Nc1cccc(c1O)F 34a_100011934987_100000210625 [0,2,0,0,0,0|1,0,1]=4 7227 B13R1.151 CS(=O)(=O)Nc1cccc(c1Cl)F 40a_100000692321_100000738038 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.151 CS(=O)(=O)Nc1cccc(c1F)Cl 40a_100000199060_100000738038 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.151 CS(=O)(=O)Nc1cccc(c1F)F 40a_100000743855_100000738038 [0,2,0,0,0,0|2,0,0]=4 7230 B13R1.151 CS(=O)(=O)Nc1cccc(c1I)Br 40a_100020590159_100000738038 [0,2,0,0,0,0|2,0,0]=4 7231 B13R1.151 CS(=O)(=O)Nc1cccc(c1I)Cl 40a_100000049713_100000738038 [0,2,0,0,0,0|2,0,0]=4 7232 B13R1.151 CS(=O)(=O)Nc1cccc(c1I)F 40a_100000690935_100000738038 [0,2,0,0,0,0|2,0,0]=4 7233 B13R1.151 Cc1c(cccc1NS(=O)(=O)C)Br 40a_100000750434_100000738038 [0,2,0,0,0,0|2,0,0]=4 7234 B13R1.151 Cc1c(cccc1NS(=O)(=O)C)Cl 40a_100000210441_100000738038 [0,2,0,0,0,0|2,0,0]=4 7235 B13R1.151 Cc1c(cccc1NS(=O)(=O)C)F 40a_100000745574_100000738038 [0,2,0,0,0,0|2,0,0]=4 7236 B13R1.151 Cc1c(cccc1NS(=O)(=O)C)I 40a_100000761887_100000738038 [0,2,0,0,0,0|2,0,0]=4 7237 B13R1.151 Cc1c(cccc1NS(=O)(=O)C)O 40a_100011216573_100000738038 [0,2,0,0,0,0|2,0,0]=4 7238 B13R1.151 Cc1cccc(c1Br)NS(=O)(=O)C 40a_100000684715_100000738038 [0,2,0,0,0,0|2,0,0]=4 7239 B13R1.151 Cc1cccc(c1C)NS(=O)(=O)C 40a_100000210026_100000738038 [0,2,0,0,0,0|2,0,0]=4 7240 B13R1.151 Cc1cccc(c1Cl)NS(=O)(=O)C 40a_100000765562_100000738038 [0,2,0,0,0,0|2,0,0]=4 7241 B13R1.151 Cc1cccc(c1F)NS(=O)(=O)C 40a_100000697159_100000738038 [0,2,0,0,0,0|2,0,0]=4 7242 B13R1.151 Cc1cccc(c1I)NS(=O)(=O)C 40a_100000761888_100000738038 [0,2,0,0,0,0|2,0,0]=4 7243 B13R1.151 Cc1cccc(c1O)NC(C)(C)C 34a_100000756359_100000210625 [0,2,0,0,0,0|1,0,1]=4 7244 B13R1.151 Cc1cccc(c1O)NS(=O)(=O)C 271570a_203496583355_100012962443 [0,2,0,0,0,0|1,0,0]=3 7245 B13R1.151 Cc1cccc(c1O)NS(=O)(=O)C 40a_100000756359_100000738038 [0,2,0,0,0,0|1,0,0]=3 7246 B13R1.275 C#CC(C)(C)Nc1ccccc1O 34a_100000185747_100000038118 [0,2,0,0,0,0|1,0,1]=4 7247 B13R1.275 CC(C)(C#N)Nc1ccccc1O 34a_100000185747_100011162410 [0,2,0,0,0,0|1,0,1]=4 7248 B13R1.275 CCS(=O)(=O)Nc1ccccc1Br 232682a_100000210017_100000211323 [0,2,0,0,0,0|2,0,0]=4 7249 B13R1.275 CCS(=O)(=O)Nc1ccccc1C 232682a_100015192222_100000211323 [0,2,0,0,0,0|2,0,0]=4 7250 B13R1.275 CCS(=O)(=O)Nc1ccccc1Cl 232682a_100000185783_100000211323 [0,2,0,0,0,0|2,0,0]=4 7251 B13R1.275 CCS(=O)(=O)Nc1ccccc1F 232682a_100000210422_100000211323 [0,2,0,0,0,0|2,0,0]=4 7252 B13R1.275 CCS(=O)(=O)Nc1ccccc1I 232682a_100000210053_100000211323 [0,2,0,0,0,0|2,0,0]=4 7253 B13R1.275 CCS(=O)(=O)Nc1ccccc1I 40a_100000210053_100000053943 [0,2,0,0,0,0|2,0,0]=4 7254 B13R1.883 CC(C)(C)Nc1ccc(cc1O)Br 34a_100000739049_100000210625 [0,2,0,0,0,0|1,0,1]=4 7255 B13R1.883 CC(C)(C)Nc1ccc(cc1O)Cl 34a_100000185728_100000210625 [0,2,0,0,0,0|1,0,1]=4 7256 B13R1.883 CC(C)(C)Nc1ccc(cc1O)F 34a_100000753323_100000210625 [0,2,0,0,0,0|1,0,1]=4 7257 B13R1.883 CC(C)(C)Nc1ccc(cc1O)O 34a_100000106777_100000210625 [0,2,0,0,0,0|1,0,1]=4 7258 B13R1.883 CS(=O)(=O)Nc1ccc(cc1Br)I 40a_100000750455_100000738038 [0,2,0,0,0,0|2,0,0]=4 7259 B13R1.883 CS(=O)(=O)Nc1ccc(cc1Cl)F 40a_100000212003_100000738038 [0,2,0,0,0,0|2,0,0]=4 7260 B13R1.883 CS(=O)(=O)Nc1ccc(cc1Cl)I 40a_100011218065_100000738038 [0,2,0,0,0,0|2,0,0]=4 7261 B13R1.883 CS(=O)(=O)Nc1ccc(cc1F)F 40a_100000210720_100000738038 [0,2,0,0,0,0|2,0,0]=4 7262 B13R1.883 CS(=O)(=O)Nc1ccc(cc1F)I 40a_100011215594_100000738038 [0,2,0,0,0,0|2,0,0]=4 7263 B13R1.883 CS(=O)(=O)Nc1ccc(cc1I)Cl 40a_100000761889_100000738038 [0,2,0,0,0,0|2,0,0]=4 7264 B13R1.883 CS(=O)(=O)Nc1ccc(cc1I)F 40a_100000760547_100000738038 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.883 CS(=O)(=O)Nc1ccc(cc1I)I 40a_100010002754_100000738038 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.883 Cc1cc(ccc1NS(=O)(=O)C)I 40a_100000184554_100000738038 [0,2,0,0,0,0|2,0,0]=4 7267 B13R1.883 Cc1ccc(c(c1)C)NS(=O)(=O)C 40a_100000736561_100000738038 [0,2,0,0,0,0|2,0,0]=4 7268 B13R1.883 Cc1ccc(c(c1)Cl)NS(=O)(=O)C 40a_100000210522_100000738038 [0,2,0,0,0,0|2,0,0]=4 7269 B13R1.883 Cc1ccc(c(c1)F)NS(=O)(=O)C 40a_100000211023_100000738038 [0,2,0,0,0,0|2,0,0]=4 7270 B13R1.883 Cc1ccc(c(c1)I)NS(=O)(=O)C 40a_100011356834_100000738038 [0,2,0,0,0,0|2,0,0]=4 7271 B13R1.883 Cc1ccc(c(c1)O)NC(C)(C)C 34a_100000211527_100000210625 [0,2,0,0,0,0|1,0,1]=4 7272 B13R1.3788 CC(C)(C)Nc1c(cccc1Br)O 34a_100011934926_100000210625 [0,2,0,0,0,0|1,0,1]=4 7273 B13R1.3788 CC(C)(C)Nc1c(cccc1Cl)O 34a_100012022510_100000210625 [0,2,0,0,0,0|1,0,1]=4 7274 B13R1.3788 CC(C)(C)Nc1c(cccc1F)O 34a_100020591140_100000210625 [0,2,0,0,0,0|1,0,1]=4 7275 B13R1.3788 CS(=O)(=O)Nc1c(cccc1F)F 40a_100000210704_100000738038 [0,2,0,0,0,0|2,0,0]=4 7276 B13R1.3788 CS(=O)(=O)Nc1c(cccc1I)Br 40a_100010146558_100000738038 [0,2,0,0,0,0|2,0,0]=4 7277 B13R1.3788 CS(=O)(=O)Nc1c(cccc1I)Cl 40a_100010190421_100000738038 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.3788 CS(=O)(=O)Nc1c(cccc1I)F 40a_100000042321_100000738038 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.3788 Cc1cccc(c1NC(C)(C)C)O 34a_100000743429_100000210625 [0,2,0,0,0,0|1,0,1]=4 7280 B13R1.3788 Cc1cccc(c1NS(=O)(=O)C)C 40a_100000185769_100000738038 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.3788 Cc1cccc(c1NS(=O)(=O)C)Cl 40a_100000756524_100000738038 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.3788 Cc1cccc(c1NS(=O)(=O)C)F 40a_100000766463_100000738038 [0,2,0,0,0,0|2,0,0]=4 7283 B13R1.40 C#CC(C)Nc1cccc(c1O)Br 34a_100011934915_200000035995 [0,2,0,0,0,0|1,0,1]=4 7284 B13R1.40 C#CC(C)Nc1cccc(c1O)C 34a_100000756359_200000035995 [0,2,0,0,0,0|1,0,1]=4 7285 B13R1.40 C#CC(C)Nc1cccc(c1O)Cl 34a_100000754742_200000035995 [0,2,0,0,0,0|1,0,1]=4 7286 B13R1.40 C#CC(C)Nc1cccc(c1O)F 34a_100011934987_200000035995 [0,2,0,0,0,0|1,0,1]=4 7287 B13R1.40 C=CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000185746 [0,2,0,0,0,0|1,0,1]=4 7288 B13R1.40 C=CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000185746 [0,2,0,0,0,0|1,0,1]=4 7289 B13R1.40 C=CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100000185746 [0,2,0,0,0,0|1,0,1]=4 7290 B13R1.40 C=CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100000185746 [0,2,0,0,0,0|1,0,1]=4 7291 B13R1.40 C=CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000185746 [0,2,0,0,0,0|1,0,1]=4 7292 B13R1.40 C=CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000185746 [0,2,0,0,0,0|1,0,1]=4 7293 B13R1.40 C=CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000185746 [0,2,0,0,0,0|1,0,1]=4 7294 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000185746 [0,2,0,0,0,0|1,0,1]=4 7295 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000185746 [0,2,0,0,0,0|1,0,1]=4 7296 B13R1.40 C=CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000185746 [0,2,0,0,0,0|1,0,1]=4 7297 B13R1.40 C=CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000185746 [0,2,0,0,0,0|1,0,1]=4 7298 B13R1.40 C=CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000185746 [0,2,0,0,0,0|1,0,1]=4 7299 B13R1.40 C=CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000185746 [0,2,0,0,0,0|1,0,1]=4 7300 B13R1.40 C=CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000185746 [0,2,0,0,0,0|1,0,1]=4 7301 B13R1.40 C=CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000185746 [0,2,0,0,0,0|1,0,1]=4 7302 B13R1.40 C=CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000185746 [0,2,0,0,0,0|1,0,1]=4 7303 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100000185746 [0,2,0,0,0,0|1,0,1]=4 7304 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000185746 [0,2,0,0,0,0|1,0,1]=4 7305 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000185746 [0,2,0,0,0,0|1,0,1]=4 7306 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100000185746 [0,2,0,0,0,0|1,0,1]=4 7307 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100000185746 [0,2,0,0,0,0|1,0,1]=4 7308 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000185746 [0,2,0,0,0,0|1,0,1]=4 7309 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000185746 [0,2,0,0,0,0|1,0,1]=4 7310 B13R1.40 C=CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000185746 [0,2,0,0,0,0|1,0,1]=4 7311 B13R1.40 C=CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000185746 [0,2,0,0,0,0|1,0,1]=4 7312 B13R1.40 C=CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000185746 [0,2,0,0,0,0|1,0,1]=4 7313 B13R1.40 C=CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000185746 [0,2,0,0,0,0|1,0,1]=4 7314 B13R1.40 C=CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000185746 [0,2,0,0,0,0|1,0,1]=4 7315 B13R1.40 C=CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000185746 [0,2,0,0,0,0|1,0,1]=4 7316 B13R1.40 C=CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000185746 [0,2,0,0,0,0|1,0,1]=4 7317 B13R1.40 C=CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100000185746 [0,2,0,0,0,0|1,0,1]=4 7318 B13R1.40 C=CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000185746 [0,2,0,0,0,0|1,0,1]=4 7319 B13R1.40 C=CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100000185746 [0,2,0,0,0,0|1,0,1]=4 7320 B13R1.40 C=CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100000185746 [0,2,0,0,0,0|1,0,1]=4 7321 B13R1.40 C=CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000185746 [0,2,0,0,0,0|0,0,1]=3 7322 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000185746 [0,2,0,0,0,0|0,0,1]=3 7323 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000185746 [0,2,0,0,0,0|0,0,1]=3 7324 B13R1.40 C=CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000185746 [0,2,0,0,0,0|0,0,1]=3 7325 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000185746 [0,2,0,0,0,0|0,0,1]=3 7326 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000185746 [0,2,0,0,0,0|0,0,1]=3 7327 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000185746 [0,2,0,0,0,0|0,0,1]=3 7328 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000185746 [0,2,0,0,0,0|0,0,1]=3 7329 B13R1.40 CC(CO)Nc1cccc(c1O)Br 34a_100011934915_100012180447 [0,2,0,0,0,0|0,0,2]=4 7330 B13R1.40 CC(CO)Nc1cccc(c1O)Cl 34a_100000754742_100012180447 [0,2,0,0,0,0|0,0,2]=4 7331 B13R1.40 CC(CO)Nc1cccc(c1O)F 34a_100011934987_100012180447 [0,2,0,0,0,0|0,0,2]=4 7332 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100000210414_200012349612 [0,2,0,0,0,0|2,0,0]=4 7333 B13R1.40 CCC(=O)Cc1cccc(c1Br)C 1458a_100010147021_100000210202 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.40 CCC(=O)Cc1cccc(c1Br)Cl 1458a_100000210414_100010145525 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.40 CCC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_100000210202 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.40 CCC(=O)Cc1cccc(c1Br)F 1458a_100000210414_100012351116 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.40 CCC(=O)Cc1cccc(c1Br)F 1458a_100012356664_100000210202 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.40 CCC(=O)Cc1cccc(c1Br)I 1458a_100000210414_100010254545 [0,2,0,0,0,0|2,0,0]=4 7339 B13R1.40 CCC(=O)Cc1cccc(c1C)Br 1458a_100000210414_100000694682 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100000210414_100011515928 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.40 CCC(=O)Cc1cccc(c1C)C 1458a_100011698479_100000210202 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.40 CCC(=O)Cc1cccc(c1C)Cl 1458a_100000210414_100012186920 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000035905_100000210202 [0,2,0,0,0,0|2,0,0]=4 7344 B13R1.40 CCC(=O)Cc1cccc(c1C)F 1458a_100000210414_100009813626 [0,2,0,0,0,0|2,0,0]=4 7345 B13R1.40 CCC(=O)Cc1cccc(c1C)I 1458a_100000210414_100010150147 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100000210414_100012349491 [0,2,0,0,0,0|2,0,0]=4 7347 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_100000210202 [0,2,0,0,0,0|2,0,0]=4 7348 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000210414_100000720918 [0,2,0,0,0,0|2,0,0]=4 7349 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_100000210202 [0,2,0,0,0,0|2,0,0]=4 7350 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100000210414_100000696688 [0,2,0,0,0,0|2,0,0]=4 7351 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_100000210202 [0,2,0,0,0,0|2,0,0]=4 7352 B13R1.40 CCC(=O)Cc1cccc(c1F)Br 1458a_100000210414_100012356507 [0,2,0,0,0,0|2,0,0]=4 7353 B13R1.40 CCC(=O)Cc1cccc(c1F)Br 1458a_100011935088_100000210202 [0,2,0,0,0,0|2,0,0]=4 7354 B13R1.40 CCC(=O)Cc1cccc(c1F)C 1458a_100000210414_100011216058 [0,2,0,0,0,0|2,0,0]=4 7355 B13R1.40 CCC(=O)Cc1cccc(c1F)Cl 1458a_100000210414_100000716733 [0,2,0,0,0,0|2,0,0]=4 7356 B13R1.40 CCC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_100000210202 [0,2,0,0,0,0|2,0,0]=4 7357 B13R1.40 CCC(=O)Cc1cccc(c1F)F 1458a_100000210414_100000217499 [0,2,0,0,0,0|2,0,0]=4 7358 B13R1.40 CCC(=O)Cc1cccc(c1F)F 1458a_100000684727_100000210202 [0,2,0,0,0,0|2,0,0]=4 7359 B13R1.40 CCC(=O)Cc1cccc(c1I)F 1458a_100000210414_100010149603 [0,2,0,0,0,0|2,0,0]=4 7360 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 11a_100000684715_100000210414 [0,2,0,0,0,0|1,0,0]=3 7361 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000210414 [0,2,0,0,0,0|1,0,0]=3 7362 B13R1.40 CCC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000210414 [0,2,0,0,0,0|1,0,0]=3 7363 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100000210414 [0,2,0,0,0,0|1,0,0]=3 7364 B13R1.40 CCC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100000210414 [0,2,0,0,0,0|1,0,0]=3 7365 B13R1.40 CCC(=O)Nc1cccc(c1Br)F 11a_100011934729_100000210414 [0,2,0,0,0,0|1,0,0]=3 7366 B13R1.40 CCC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100000210414 [0,2,0,0,0,0|1,0,0]=3 7367 B13R1.40 CCC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000210414 [0,2,0,0,0,0|1,0,0]=3 7368 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 11a_100000750434_100000210414 [0,2,0,0,0,0|1,0,0]=3 7369 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000210414 [0,2,0,0,0,0|1,0,0]=3 7370 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000210414 [0,2,0,0,0,0|1,0,0]=3 7371 B13R1.40 CCC(=O)Nc1cccc(c1C)Br 527a_100000750434_100000210414 [0,2,0,0,0,0|1,0,0]=3 7372 B13R1.40 CCC(=O)Nc1cccc(c1C)C 11a_100000210026_100000210414 [0,2,0,0,0,0|1,0,0]=3 7373 B13R1.40 CCC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000210414 [0,2,0,0,0,0|1,0,0]=3 7374 B13R1.40 CCC(=O)Nc1cccc(c1C)C 22a_100000210026_100000210414 [0,2,0,0,0,0|1,0,0]=3 7375 B13R1.40 CCC(=O)Nc1cccc(c1C)C 527a_100000210026_100000210414 [0,2,0,0,0,0|1,0,0]=3 7376 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100000210414 [0,2,0,0,0,0|1,0,0]=3 7377 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000210414 [0,2,0,0,0,0|1,0,0]=3 7378 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000210414 [0,2,0,0,0,0|1,0,0]=3 7379 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100000210414 [0,2,0,0,0,0|1,0,0]=3 7380 B13R1.40 CCC(=O)Nc1cccc(c1C)F 11a_100000745574_100000210414 [0,2,0,0,0,0|1,0,0]=3 7381 B13R1.40 CCC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000210414 [0,2,0,0,0,0|1,0,0]=3 7382 B13R1.40 CCC(=O)Nc1cccc(c1C)F 22a_100000745574_100000210414 [0,2,0,0,0,0|1,0,0]=3 7383 B13R1.40 CCC(=O)Nc1cccc(c1C)F 527a_100000745574_100000210414 [0,2,0,0,0,0|1,0,0]=3 7384 B13R1.40 CCC(=O)Nc1cccc(c1C)I 11a_100000761887_100000210414 [0,2,0,0,0,0|1,0,0]=3 7385 B13R1.40 CCC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000210414 [0,2,0,0,0,0|1,0,0]=3 7386 B13R1.40 CCC(=O)Nc1cccc(c1C)I 22a_100000761887_100000210414 [0,2,0,0,0,0|1,0,0]=3 7387 B13R1.40 CCC(=O)Nc1cccc(c1C)I 527a_100000761887_100000210414 [0,2,0,0,0,0|1,0,0]=3 7388 B13R1.40 CCC(=O)Nc1cccc(c1C)O 11a_100011216573_100000210414 [0,2,0,0,0,0|1,0,0]=3 7389 B13R1.40 CCC(=O)Nc1cccc(c1C)O 22a_100011216573_100000210414 [0,2,0,0,0,0|1,0,0]=3 7390 B13R1.40 CCC(=O)Nc1cccc(c1C)O 527a_100011216573_100000210414 [0,2,0,0,0,0|1,0,0]=3 7391 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100000210414 [0,2,0,0,0,0|1,0,0]=3 7392 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100000210414 [0,2,0,0,0,0|1,0,0]=3 7393 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100000210414 [0,2,0,0,0,0|1,0,0]=3 7394 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100000210414 [0,2,0,0,0,0|1,0,0]=3 7395 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000210414 [0,2,0,0,0,0|1,0,0]=3 7396 B13R1.40 CCC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000210414 [0,2,0,0,0,0|1,0,0]=3 7397 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100000210414 [0,2,0,0,0,0|1,0,0]=3 7398 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100000210414 [0,2,0,0,0,0|1,0,0]=3 7399 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100000210414 [0,2,0,0,0,0|1,0,0]=3 7400 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100000210414 [0,2,0,0,0,0|1,0,0]=3 7401 B13R1.40 CCC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000210414 [0,2,0,0,0,0|1,0,0]=3 7402 B13R1.40 CCC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000210414 [0,2,0,0,0,0|1,0,0]=3 7403 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 11a_100011935091_100000210414 [0,2,0,0,0,0|1,0,0]=3 7404 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000210414 [0,2,0,0,0,0|1,0,0]=3 7405 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000210414 [0,2,0,0,0,0|1,0,0]=3 7406 B13R1.40 CCC(=O)Nc1cccc(c1F)Br 527a_100011935091_100000210414 [0,2,0,0,0,0|1,0,0]=3 7407 B13R1.40 CCC(=O)Nc1cccc(c1F)C 11a_100000697159_100000210414 [0,2,0,0,0,0|1,0,0]=3 7408 B13R1.40 CCC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000210414 [0,2,0,0,0,0|1,0,0]=3 7409 B13R1.40 CCC(=O)Nc1cccc(c1F)C 527a_100000697159_100000210414 [0,2,0,0,0,0|1,0,0]=3 7410 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100000210414 [0,2,0,0,0,0|1,0,0]=3 7411 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000210414 [0,2,0,0,0,0|1,0,0]=3 7412 B13R1.40 CCC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000210414 [0,2,0,0,0,0|1,0,0]=3 7413 B13R1.40 CCC(=O)Nc1cccc(c1F)F 11a_100000743855_100000210414 [0,2,0,0,0,0|1,0,0]=3 7414 B13R1.40 CCC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000210414 [0,2,0,0,0,0|1,0,0]=3 7415 B13R1.40 CCC(=O)Nc1cccc(c1F)F 22a_100000743855_100000210414 [0,2,0,0,0,0|1,0,0]=3 7416 B13R1.40 CCC(=O)Nc1cccc(c1I)Br 11a_100020590159_100000210414 [0,2,0,0,0,0|1,0,0]=3 7417 B13R1.40 CCC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100000210414 [0,2,0,0,0,0|1,0,0]=3 7418 B13R1.40 CCC(=O)Nc1cccc(c1I)C 11a_100000761888_100000210414 [0,2,0,0,0,0|1,0,0]=3 7419 B13R1.40 CCC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000210414 [0,2,0,0,0,0|1,0,0]=3 7420 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100000210414 [0,2,0,0,0,0|1,0,0]=3 7421 B13R1.40 CCC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100000210414 [0,2,0,0,0,0|1,0,0]=3 7422 B13R1.40 CCC(=O)Nc1cccc(c1I)F 11a_100000690935_100000210414 [0,2,0,0,0,0|1,0,0]=3 7423 B13R1.40 CCC(=O)Nc1cccc(c1I)F 1626a_100000690935_100000210414 [0,2,0,0,0,0|1,0,0]=3 7424 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000210414 [0,2,0,0,0,0|0,0,0]=2 7425 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 527a_100011934915_100000210414 [0,2,0,0,0,0|0,0,0]=2 7426 B13R1.40 CCC(=O)Nc1cccc(c1O)C 11a_100000756359_100000210414 [0,2,0,0,0,0|0,0,0]=2 7427 B13R1.40 CCC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000210414 [0,2,0,0,0,0|0,0,0]=2 7428 B13R1.40 CCC(=O)Nc1cccc(c1O)C 22a_100000756359_100000210414 [0,2,0,0,0,0|0,0,0]=2 7429 B13R1.40 CCC(=O)Nc1cccc(c1O)C 527a_100000756359_100000210414 [0,2,0,0,0,0|0,0,0]=2 7430 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000210414 [0,2,0,0,0,0|0,0,0]=2 7431 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100000210414 [0,2,0,0,0,0|0,0,0]=2 7432 B13R1.40 CCC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000210414 [0,2,0,0,0,0|0,0,0]=2 7433 B13R1.40 CCC(=O)Nc1cccc(c1O)F 22a_100011934987_100000210414 [0,2,0,0,0,0|0,0,0]=2 7434 B13R1.40 CCC(=O)Nc1cccc(c1O)F 527a_100011934987_100000210414 [0,2,0,0,0,0|0,0,0]=2 7435 B13R1.40 CCC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000210414 [0,2,0,0,0,0|0,0,0]=2 7436 B13R1.40 CCC(=O)Nc1cccc(c1O)I 22a_100010084371_100000210414 [0,2,0,0,0,0|0,0,0]=2 7437 B13R1.40 CCC(=O)Nc1cccc(c1O)I 527a_100010084371_100000210414 [0,2,0,0,0,0|0,0,0]=2 7438 B13R1.40 CCC(C)Nc1cccc(c1O)Br 34a_100011934915_100011215416 [0,2,0,0,0,0|1,0,1]=4 7439 B13R1.40 CCC(C)Nc1cccc(c1O)C 34a_100000756359_100011215416 [0,2,0,0,0,0|1,0,1]=4 7440 B13R1.40 CCC(C)Nc1cccc(c1O)Cl 34a_100000754742_100011215416 [0,2,0,0,0,0|1,0,1]=4 7441 B13R1.40 CCC(C)Nc1cccc(c1O)F 34a_100011934987_100011215416 [0,2,0,0,0,0|1,0,1]=4 7442 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,2,0,0,0,0|2,0,0]=4 7443 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,2,0,0,0,0|2,0,0]=4 7444 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,2,0,0,0,0|2,0,0]=4 7446 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,2,0,0,0,0|2,0,0]=4 7447 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,2,0,0,0,0|2,0,0]=4 7448 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,2,0,0,0,0|2,0,0]=4 7449 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,2,0,0,0,0|2,0,0]=4 7450 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,2,0,0,0,0|2,0,0]=4 7451 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,2,0,0,0,0|2,0,0]=4 7452 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,2,0,0,0,0|2,0,0]=4 7453 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,2,0,0,0,0|2,0,0]=4 7454 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,2,0,0,0,0|2,0,0]=4 7455 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,2,0,0,0,0|2,0,0]=4 7456 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,2,0,0,0,0|2,0,0]=4 7457 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,2,0,0,0,0|2,0,0]=4 7458 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,2,0,0,0,0|2,0,0]=4 7459 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,2,0,0,0,0|2,0,0]=4 7460 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,2,0,0,0,0|2,0,0]=4 7461 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,2,0,0,0,0|2,0,0]=4 7462 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,2,0,0,0,0|2,0,0]=4 7463 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,2,0,0,0,0|2,0,0]=4 7464 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,2,0,0,0,0|2,0,0]=4 7465 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,2,0,0,0,0|2,0,0]=4 7466 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,2,0,0,0,0|2,0,0]=4 7467 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,2,0,0,0,0|2,0,0]=4 7468 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,2,0,0,0,0|2,0,0]=4 7469 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,2,0,0,0,0|2,0,0]=4 7470 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,2,0,0,0,0|2,0,0]=4 7471 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,2,0,0,0,0|2,0,0]=4 7472 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,2,0,0,0,0|2,0,0]=4 7473 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,2,0,0,0,0|2,0,0]=4 7474 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,2,0,0,0,0|2,0,0]=4 7475 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,2,0,0,0,0|2,0,0]=4 7479 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,2,0,0,0,0|2,0,0]=4 7480 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,2,0,0,0,0|2,0,0]=4 7481 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,2,0,0,0,0|2,0,0]=4 7482 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,2,0,0,0,0|2,0,0]=4 7483 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,2,0,0,0,0|2,0,0]=4 7484 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,2,0,0,0,0|2,0,0]=4 7485 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,2,0,0,0,0|2,0,0]=4 7486 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,2,0,0,0,0|1,0,0]=3 7487 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,2,0,0,0,0|1,0,0]=3 7488 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,2,0,0,0,0|1,0,0]=3 7489 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,2,0,0,0,0|1,0,0]=3 7490 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,2,0,0,0,0|1,0,0]=3 7491 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,2,0,0,0,0|1,0,0]=3 7492 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,2,0,0,0,0|1,0,0]=3 7493 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,2,0,0,0,0|1,0,0]=3 7494 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,2,0,0,0,0|1,0,0]=3 7495 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,2,0,0,0,0|1,0,0]=3 7496 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,2,0,0,0,0|1,0,0]=3 7497 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,2,0,0,0,0|1,0,0]=3 7498 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,2,0,0,0,0|1,0,0]=3 7499 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,2,0,0,0,0|1,0,0]=3 7500 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,2,0,0,0,0|1,0,0]=3 7501 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,2,0,0,0,0|1,0,0]=3 7502 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,2,0,0,0,0|1,0,0]=3 7503 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,2,0,0,0,0|1,0,0]=3 7504 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,2,0,0,0,0|1,0,0]=3 7505 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,2,0,0,0,0|1,0,0]=3 7506 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,2,0,0,0,0|1,0,0]=3 7507 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,2,0,0,0,0|1,0,0]=3 7508 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,2,0,0,0,0|1,0,0]=3 7509 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,2,0,0,0,0|1,0,0]=3 7510 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,2,0,0,0,0|1,0,0]=3 7511 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,2,0,0,0,0|1,0,0]=3 7512 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,2,0,0,0,0|1,0,0]=3 7513 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,2,0,0,0,0|0,0,0]=2 7514 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,2,0,0,0,0|0,0,0]=2 7515 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,2,0,0,0,0|0,0,0]=2 7516 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,2,0,0,0,0|0,0,0]=2 7517 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,2,0,0,0,0|0,0,0]=2 7518 B13R1.40 COC(=O)Cc1cccc(c1F)O 271570a_203496583355_100010741560 [0,2,0,0,0,0|2,0,0]=4 7519 B13R1.40 COC(=O)Cc1cccc(c1O)C 271570a_203496583355_200010150888 [0,2,0,0,0,0|1,0,0]=3 7520 B13R1.40 COC(=O)Cc1cccc(c1O)O 271570a_203496583355_100010150830 [0,2,0,0,0,0|1,0,0]=3 7521 B13R1.40 Cc1c(cccc1CC(=O)CF)F 1458a_100000035905_100015361967 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.40 Cc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100000694682 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.40 Cc1c(cccc1CC(=O)CO)Cl 1458a_100000210174_100012186920 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.40 Cc1c(cccc1CC(=O)CO)F 1458a_100000210174_100009813626 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.40 Cc1c(cccc1CC(=O)CO)I 1458a_100000210174_100010150147 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 22a_100000750434_100000210174 [0,2,0,0,0,0|1,0,0]=3 7527 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 527a_100000750434_100000210174 [0,2,0,0,0,0|1,0,0]=3 7528 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 22a_100000210441_100000210174 [0,2,0,0,0,0|1,0,0]=3 7529 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 527a_100000210441_100000210174 [0,2,0,0,0,0|1,0,0]=3 7530 B13R1.40 Cc1c(cccc1NC(=O)CO)F 22a_100000745574_100000210174 [0,2,0,0,0,0|1,0,0]=3 7531 B13R1.40 Cc1c(cccc1NC(=O)CO)F 527a_100000745574_100000210174 [0,2,0,0,0,0|1,0,0]=3 7532 B13R1.40 Cc1c(cccc1NC(=O)CO)I 22a_100000761887_100000210174 [0,2,0,0,0,0|1,0,0]=3 7533 B13R1.40 Cc1c(cccc1NC(=O)CO)I 527a_100000761887_100000210174 [0,2,0,0,0,0|1,0,0]=3 7534 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,2,0,0,0,0|1,0,0]=3 7535 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,2,0,0,0,0|1,0,0]=3 7536 B13R1.40 Cc1cccc(c1Br)CC(=O)CF 1458a_100010147021_100015361967 [0,2,0,0,0,0|2,0,0]=4 7537 B13R1.40 Cc1cccc(c1Br)CC(=O)CO 1458a_100000210174_200012349612 [0,2,0,0,0,0|2,0,0]=4 7538 B13R1.40 Cc1cccc(c1Br)NC(=O)CO 22a_100000684715_100000210174 [0,2,0,0,0,0|1,0,0]=3 7539 B13R1.40 Cc1cccc(c1C)CC(=O)CF 1458a_100011698479_100015361967 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,2,0,0,0,0|2,0,0]=4 7541 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,2,0,0,0,0|1,0,0]=3 7542 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,2,0,0,0,0|1,0,0]=3 7543 B13R1.40 Cc1cccc(c1Cl)NC(=O)CO 22a_100000765562_100000210174 [0,2,0,0,0,0|1,0,0]=3 7544 B13R1.40 Cc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011216058 [0,2,0,0,0,0|2,0,0]=4 7545 B13R1.40 Cc1cccc(c1F)NC(=O)CO 527a_100000697159_100000210174 [0,2,0,0,0,0|1,0,0]=3 7546 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,2,0,0,0,0|0,0,0]=2 7547 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,2,0,0,0,0|0,0,0]=2 7548 B13R1.40 Cc1cccc(c1O)NC(C)CO 34a_100000756359_100012180447 [0,2,0,0,0,0|0,0,2]=4 7549 B13R1.40 O=C(CF)Cc1cccc(c1Br)Cl 1458a_100010145769_100015361967 [0,2,0,0,0,0|2,0,0]=4 7550 B13R1.40 O=C(CF)Cc1cccc(c1Br)F 1458a_100012356664_100015361967 [0,2,0,0,0,0|2,0,0]=4 7551 B13R1.40 O=C(CF)Cc1cccc(c1Cl)Br 1458a_100010145770_100015361967 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.40 O=C(CF)Cc1cccc(c1Cl)Cl 1458a_100000759314_100015361967 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.40 O=C(CF)Cc1cccc(c1Cl)F 1458a_100012001123_100015361967 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.40 O=C(CF)Cc1cccc(c1F)Br 1458a_100011935088_100015361967 [0,2,0,0,0,0|2,0,0]=4 7555 B13R1.40 O=C(CF)Cc1cccc(c1F)Cl 1458a_100000709823_100015361967 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.40 O=C(CF)Cc1cccc(c1F)F 1458a_100000684727_100015361967 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.40 O=C(CO)Cc1cccc(c1Br)Cl 1458a_100000210174_100010145525 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.40 O=C(CO)Cc1cccc(c1Br)F 1458a_100000210174_100012351116 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.40 O=C(CO)Cc1cccc(c1Br)I 1458a_100000210174_100010254545 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Br 1458a_100000210174_100012349491 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Cl 1458a_100000210174_100000720918 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.40 O=C(CO)Cc1cccc(c1Cl)F 1458a_100000210174_100000696688 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.40 O=C(CO)Cc1cccc(c1F)Br 1458a_100000210174_100012356507 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.40 O=C(CO)Cc1cccc(c1F)Cl 1458a_100000210174_100000716733 [0,2,0,0,0,0|2,0,0]=4 7565 B13R1.40 O=C(CO)Cc1cccc(c1F)F 1458a_100000210174_100000217499 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.40 O=C(CO)Cc1cccc(c1I)F 1458a_100000210174_100010149603 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,2,0,0,0,0|1,0,0]=3 7568 B13R1.40 O=C(CO)Nc1cccc(c1Cl)Br 527a_100000687075_100000210174 [0,2,0,0,0,0|1,0,0]=3 7569 B13R1.40 O=C(CO)Nc1cccc(c1Cl)F 22a_100000692321_100000210174 [0,2,0,0,0,0|1,0,0]=3 7570 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,2,0,0,0,0|1,0,0]=3 7571 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 22a_100011935091_100000210174 [0,2,0,0,0,0|1,0,0]=3 7572 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 527a_100011935091_100000210174 [0,2,0,0,0,0|1,0,0]=3 7573 B13R1.40 O=C(CO)Nc1cccc(c1F)Cl 22a_100000199060_100000210174 [0,2,0,0,0,0|1,0,0]=3 7574 B13R1.40 O=C(CO)Nc1cccc(c1F)F 22a_100000743855_100000210174 [0,2,0,0,0,0|1,0,0]=3 7575 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,2,0,0,0,0|0,0,0]=2 7576 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,2,0,0,0,0|0,0,0]=2 7577 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,2,0,0,0,0|0,0,0]=2 7578 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,2,0,0,0,0|0,0,0]=2 7579 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,2,0,0,0,0|0,0,0]=2 7580 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,2,0,0,0,0|0,0,0]=2 7581 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,2,0,0,0,0|0,0,0]=2 7582 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,2,0,0,0,0|0,0,0]=2 7583 B13R1.641 CC(=Cc1cccc(c1O)C#N)C 271570a_100102525489_100009817103 [0,2,0,0,0,0|2,0,0]=4 7584 B13R1.641 CC(=Cc1cccc(c1O)C=O)C 271570a_100102525489_100000737635 [0,2,0,0,0,0|2,0,0]=4 7585 B13R1.641 CC(=O)Cc1cccc(c1Br)C#N 1458a_100000070787_100010145452 [0,2,0,0,0,0|2,0,0]=4 7586 B13R1.641 CC(=O)Cc1cccc(c1Cl)C#N 1458a_100000070787_100010147161 [0,2,0,0,0,0|2,0,0]=4 7587 B13R1.641 CC(=O)Cc1cccc(c1F)C#N 1458a_100000070787_100000695645 [0,2,0,0,0,0|2,0,0]=4 7588 B13R1.641 CC(=O)Nc1cccc(c1Br)C#N 11a_100009877206_100015343762 [0,2,0,0,0,0|1,0,0]=3 7589 B13R1.641 CC(=O)Nc1cccc(c1Br)C#N 1626a_100009877206_100015343762 [0,2,0,0,0,0|1,0,0]=3 7590 B13R1.641 CC(=O)Nc1cccc(c1C)CO 22a_102495339961_100000070787 [0,2,0,0,0,0|1,0,0]=3 7591 B13R1.641 CC(=O)Nc1cccc(c1C)CO 527a_102495339961_100103153847 [0,2,0,0,0,0|1,0,0]=3 7592 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 34a_100000736503_200025704644 [0,2,0,0,0,0|1,0,0]=3 7593 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 7a_100000736503_200025704644 [0,2,0,0,0,0|1,0,0]=3 7594 B13R1.641 CC(=O)Nc1cccc(c1Cl)C#N 11a_100012184300_100015343762 [0,2,0,0,0,0|1,0,0]=3 7595 B13R1.641 CC(=O)Nc1cccc(c1Cl)C#N 1626a_100012184300_100015343762 [0,2,0,0,0,0|1,0,0]=3 7596 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 11a_100000087142_100015343762 [0,2,0,0,0,0|1,0,0]=3 7597 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 1626a_100000087142_100015343762 [0,2,0,0,0,0|1,0,0]=3 7598 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 22a_100000087142_100000070787 [0,2,0,0,0,0|1,0,0]=3 7599 B13R1.641 CC(=O)Nc1cccc(c1F)C#N 527a_100000087142_100103153847 [0,2,0,0,0,0|1,0,0]=3 7600 B13R1.641 CC(=O)Nc1cccc(c1I)C#N 11a_200010145139_100015343762 [0,2,0,0,0,0|1,0,0]=3 7601 B13R1.641 CC(=O)Nc1cccc(c1I)C#N 1626a_200010145139_100015343762 [0,2,0,0,0,0|1,0,0]=3 7602 B13R1.641 CCc1cccc(c1O)C=C(C)C 271570a_100102525489_200010001580 [0,2,0,0,0,0|2,0,0]=4 7603 B13R1.641 CNc1cccc(c1C)NC(=O)C 34a_100000736503_200000210301 [0,2,0,0,0,0|1,0,0]=3 7604 B13R1.641 CNc1cccc(c1C)NC(=O)C 7a_100000736503_200000210301 [0,2,0,0,0,0|1,0,0]=3 7605 B13R1.641 COc1cccc(c1Br)NC(=O)C 11a_100000703447_100015343762 [0,2,0,0,0,0|1,0,0]=3 7606 B13R1.641 COc1cccc(c1Br)NC(=O)C 1626a_100000703447_100015343762 [0,2,0,0,0,0|1,0,0]=3 7607 B13R1.641 COc1cccc(c1Br)NC(=O)C 22a_100000703447_100000070787 [0,2,0,0,0,0|1,0,0]=3 7608 B13R1.641 COc1cccc(c1Br)NC(=O)C 527a_100000703447_100103153847 [0,2,0,0,0,0|1,0,0]=3 7609 B13R1.641 COc1cccc(c1C)CC(=O)C 1458a_100000070787_100009876938 [0,2,0,0,0,0|2,0,0]=4 7610 B13R1.641 COc1cccc(c1C)NC(=O)C 11a_100011244893_100015343762 [0,2,0,0,0,0|1,0,0]=3 7611 B13R1.641 COc1cccc(c1C)NC(=O)C 1626a_100011244893_100015343762 [0,2,0,0,0,0|1,0,0]=3 7612 B13R1.641 COc1cccc(c1C)NC(=O)C 22a_100011244893_100000070787 [0,2,0,0,0,0|1,0,0]=3 7613 B13R1.641 COc1cccc(c1C)NC(=O)C 527a_100011244893_100103153847 [0,2,0,0,0,0|1,0,0]=3 7614 B13R1.641 COc1cccc(c1Cl)CC(=O)C 1458a_100000070787_200010147866 [0,2,0,0,0,0|2,0,0]=4 7615 B13R1.641 COc1cccc(c1Cl)NC(=O)C 11a_100000089720_100015343762 [0,2,0,0,0,0|1,0,0]=3 7616 B13R1.641 COc1cccc(c1Cl)NC(=O)C 1626a_100000089720_100015343762 [0,2,0,0,0,0|1,0,0]=3 7617 B13R1.641 COc1cccc(c1Cl)NC(=O)C 22a_100000089720_100000070787 [0,2,0,0,0,0|1,0,0]=3 7618 B13R1.641 COc1cccc(c1Cl)NC(=O)C 527a_100000089720_100103153847 [0,2,0,0,0,0|1,0,0]=3 7619 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000070787_100011260763 [0,2,0,0,0,0|2,0,0]=4 7620 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000698549_200000210301 [0,2,0,0,0,0|2,0,0]=4 7621 B13R1.641 COc1cccc(c1F)CC(=O)[13CH3] 1458a_100000698549_200025704644 [0,2,0,0,0,0|2,0,0]=4 7622 B13R1.641 COc1cccc(c1F)NC(=O)C 11a_100000100910_100015343762 [0,2,0,0,0,0|1,0,0]=3 7623 B13R1.641 COc1cccc(c1F)NC(=O)C 1626a_100000100910_100015343762 [0,2,0,0,0,0|1,0,0]=3 7624 B13R1.641 COc1cccc(c1F)NC(=O)C 22a_100000100910_100000070787 [0,2,0,0,0,0|1,0,0]=3 7625 B13R1.641 COc1cccc(c1F)NC(=O)C 527a_100000100910_100103153847 [0,2,0,0,0,0|1,0,0]=3 7626 B13R1.641 COc1cccc(c1I)NC(=O)C 11a_100010245509_100015343762 [0,2,0,0,0,0|1,0,0]=3 7627 B13R1.641 COc1cccc(c1I)NC(=O)C 1626a_100010245509_100015343762 [0,2,0,0,0,0|1,0,0]=3 7628 B13R1.641 COc1cccc(c1O)C=C(C)C 271570a_100102525489_100000686866 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.641 COc1cccc(c1O)NC(=O)C 22a_100000123586_100000070787 [0,2,0,0,0,0|0,0,0]=2 7630 B13R1.641 COc1cccc(c1O)NC(=O)C 527a_100000123586_100103153847 [0,2,0,0,0,0|0,0,0]=2 7631 B13R1.641 COc1cccc(c1O)NC(C)C 34a_100000123586_100000210206 [0,2,0,0,0,0|1,0,1]=4 7632 B13R1.3528 CC(=Cc1ccc(c(c1O)C)F)C 271570a_100102525489_200010391124 [0,2,0,0,0,0|2,0,0]=4 7633 B13R1.3528 CC(=Cc1ccc(c(c1O)F)C)C 271570a_100102525489_100000722096 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.3528 CC(=Cc1ccc(c(c1O)F)F)C 271570a_100102525489_100010243909 [0,2,0,0,0,0|2,0,0]=4 7635 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_100000070787_100016216887 [0,2,0,0,0,0|2,0,0]=4 7636 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200000210301 [0,2,0,0,0,0|2,0,0]=4 7637 B13R1.3528 CC(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200000210301 [0,2,0,0,0,0|2,0,0]=4 7638 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200000210301 [0,2,0,0,0,0|2,0,0]=4 7639 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000070787_100009814552 [0,2,0,0,0,0|2,0,0]=4 7640 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100000070787_100009813564 [0,2,0,0,0,0|2,0,0]=4 7641 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100011217901_200000210301 [0,2,0,0,0,0|2,0,0]=4 7642 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100000070787_100011218744 [0,2,0,0,0,0|2,0,0]=4 7643 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200000210301 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Br)Br 11a_100010151465_100015343762 [0,2,0,0,0,0|1,0,0]=3 7645 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Br)Br 1626a_100010151465_100015343762 [0,2,0,0,0,0|1,0,0]=3 7646 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Cl)Cl 11a_100021501213_100015343762 [0,2,0,0,0,0|1,0,0]=3 7647 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)Cl)Cl 1626a_100021501213_100015343762 [0,2,0,0,0,0|1,0,0]=3 7648 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)F 11a_100010232473_100015343762 [0,2,0,0,0,0|1,0,0]=3 7649 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)F 1626a_100010232473_100015343762 [0,2,0,0,0,0|1,0,0]=3 7650 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)I 11a_100015781493_100015343762 [0,2,0,0,0,0|1,0,0]=3 7651 B13R1.3528 CC(=O)Nc1ccc(c(c1Br)F)I 1626a_100015781493_100015343762 [0,2,0,0,0,0|1,0,0]=3 7652 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 11a_100010244494_100015343762 [0,2,0,0,0,0|1,0,0]=3 7653 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 1626a_100010244494_100015343762 [0,2,0,0,0,0|1,0,0]=3 7654 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 22a_100010244494_100000070787 [0,2,0,0,0,0|1,0,0]=3 7655 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Br 527a_100010244494_100103153847 [0,2,0,0,0,0|1,0,0]=3 7656 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 11a_106354213274_100015343762 [0,2,0,0,0,0|1,0,0]=3 7657 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 1626a_106354213274_100015343762 [0,2,0,0,0,0|1,0,0]=3 7658 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 22a_106354213274_100000070787 [0,2,0,0,0,0|1,0,0]=3 7659 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)C 527a_106354213274_100103153847 [0,2,0,0,0,0|1,0,0]=3 7660 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 11a_100016073598_100015343762 [0,2,0,0,0,0|1,0,0]=3 7661 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 1626a_100016073598_100015343762 [0,2,0,0,0,0|1,0,0]=3 7662 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 22a_100016073598_100000070787 [0,2,0,0,0,0|1,0,0]=3 7663 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Br)Cl 527a_100016073598_100103153847 [0,2,0,0,0,0|1,0,0]=3 7664 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 11a_100009816967_100015343762 [0,2,0,0,0,0|1,0,0]=3 7665 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 1626a_100009816967_100015343762 [0,2,0,0,0,0|1,0,0]=3 7666 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 22a_100009816967_100000070787 [0,2,0,0,0,0|1,0,0]=3 7667 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)Br 527a_100009816967_100103153847 [0,2,0,0,0,0|1,0,0]=3 7668 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)C 11a_100000116900_100015343762 [0,2,0,0,0,0|1,0,0]=3 7669 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)C 1626a_100000116900_100015343762 [0,2,0,0,0,0|1,0,0]=3 7670 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)C 22a_100000116900_100000070787 [0,2,0,0,0,0|1,0,0]=3 7671 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F 11a_100000062172_100015343762 [0,2,0,0,0,0|1,0,0]=3 7672 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F 1626a_100000062172_100015343762 [0,2,0,0,0,0|1,0,0]=3 7673 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)F 22a_100000062172_100000070787 [0,2,0,0,0,0|1,0,0]=3 7674 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 11a_200011216674_100015343762 [0,2,0,0,0,0|1,0,0]=3 7675 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 22a_200011216674_100000070787 [0,2,0,0,0,0|1,0,0]=3 7676 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 527a_200011216674_100103153847 [0,2,0,0,0,0|1,0,0]=3 7677 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 11a_100009816872_100015343762 [0,2,0,0,0,0|1,0,0]=3 7678 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 1626a_100009816872_100015343762 [0,2,0,0,0,0|1,0,0]=3 7679 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 22a_100009816872_100000070787 [0,2,0,0,0,0|1,0,0]=3 7680 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Br 527a_100009816872_100103153847 [0,2,0,0,0,0|1,0,0]=3 7681 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 11a_100009954856_100015343762 [0,2,0,0,0,0|1,0,0]=3 7682 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 1626a_100009954856_100015343762 [0,2,0,0,0,0|1,0,0]=3 7683 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 22a_100009954856_100000070787 [0,2,0,0,0,0|1,0,0]=3 7684 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)C 527a_100009954856_100103153847 [0,2,0,0,0,0|1,0,0]=3 7685 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Cl 11a_114948340058_100015343762 [0,2,0,0,0,0|1,0,0]=3 7686 B13R1.3528 CC(=O)Nc1ccc(c(c1C)Cl)Cl 1626a_114948340058_100015343762 [0,2,0,0,0,0|1,0,0]=3 7687 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 11a_100010208198_100015343762 [0,2,0,0,0,0|1,0,0]=3 7688 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 1626a_100010208198_100015343762 [0,2,0,0,0,0|1,0,0]=3 7689 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 22a_100010208198_100000070787 [0,2,0,0,0,0|1,0,0]=3 7690 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)Br 527a_100010208198_100103153847 [0,2,0,0,0,0|1,0,0]=3 7691 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 11a_100010291050_100015343762 [0,2,0,0,0,0|1,0,0]=3 7692 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 1626a_100010291050_100015343762 [0,2,0,0,0,0|1,0,0]=3 7693 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 22a_100010291050_100000070787 [0,2,0,0,0,0|1,0,0]=3 7694 B13R1.3528 CC(=O)Nc1ccc(c(c1C)F)I 527a_100010291050_100103153847 [0,2,0,0,0,0|1,0,0]=3 7695 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 11a_100011170560_100015343762 [0,2,0,0,0,0|1,0,0]=3 7696 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 1626a_100011170560_100015343762 [0,2,0,0,0,0|1,0,0]=3 7697 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 22a_100011170560_100000070787 [0,2,0,0,0,0|1,0,0]=3 7698 B13R1.3528 CC(=O)Nc1ccc(c(c1C)I)C 527a_100011170560_100103153847 [0,2,0,0,0,0|1,0,0]=3 7699 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)Cl 11a_100011935240_100015343762 [0,2,0,0,0,0|1,0,0]=3 7700 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)Cl 1626a_100011935240_100015343762 [0,2,0,0,0,0|1,0,0]=3 7701 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)Cl 22a_100011935240_100000070787 [0,2,0,0,0,0|1,0,0]=3 7702 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)F 11a_100009863382_100015343762 [0,2,0,0,0,0|1,0,0]=3 7703 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)F 1626a_100009863382_100015343762 [0,2,0,0,0,0|1,0,0]=3 7704 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)C)F 22a_100009863382_100000070787 [0,2,0,0,0,0|1,0,0]=3 7705 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Br 11a_100000701039_100015343762 [0,2,0,0,0,0|1,0,0]=3 7706 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Br 1626a_100000701039_100015343762 [0,2,0,0,0,0|1,0,0]=3 7707 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Cl 11a_200000033989_100015343762 [0,2,0,0,0,0|1,0,0]=3 7708 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)Cl 1626a_200000033989_100015343762 [0,2,0,0,0,0|1,0,0]=3 7709 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)F 11a_100000068956_100015343762 [0,2,0,0,0,0|1,0,0]=3 7710 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)F 1626a_100000068956_100015343762 [0,2,0,0,0,0|1,0,0]=3 7711 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)O 527a_100012017499_100103153847 [0,2,0,0,0,0|1,0,0]=3 7712 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Br 11a_100010109752_100015343762 [0,2,0,0,0,0|1,0,0]=3 7713 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Br 1626a_100010109752_100015343762 [0,2,0,0,0,0|1,0,0]=3 7714 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Cl 11a_100000069711_100015343762 [0,2,0,0,0,0|1,0,0]=3 7715 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)Cl 1626a_100000069711_100015343762 [0,2,0,0,0,0|1,0,0]=3 7716 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)F 11a_100000101296_100015343762 [0,2,0,0,0,0|1,0,0]=3 7717 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)F)F 1626a_100000101296_100015343762 [0,2,0,0,0,0|1,0,0]=3 7718 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 11a_100000036876_100015343762 [0,2,0,0,0,0|1,0,0]=3 7719 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 22a_100000036876_100000070787 [0,2,0,0,0,0|1,0,0]=3 7720 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Br)F 11a_100010070858_100015343762 [0,2,0,0,0,0|1,0,0]=3 7721 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Br)F 1626a_100010070858_100015343762 [0,2,0,0,0,0|1,0,0]=3 7722 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)Br 11a_100000722916_100015343762 [0,2,0,0,0,0|1,0,0]=3 7723 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)Br 1626a_100000722916_100015343762 [0,2,0,0,0,0|1,0,0]=3 7724 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)Br 22a_100000722916_100000070787 [0,2,0,0,0,0|1,0,0]=3 7725 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)F 11a_102495366501_100015343762 [0,2,0,0,0,0|1,0,0]=3 7726 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)F 1626a_102495366501_100015343762 [0,2,0,0,0,0|1,0,0]=3 7727 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)F 22a_102495366501_100000070787 [0,2,0,0,0,0|1,0,0]=3 7728 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 11a_200000126710_100015343762 [0,2,0,0,0,0|1,0,0]=3 7729 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 22a_200000126710_100000070787 [0,2,0,0,0,0|1,0,0]=3 7730 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 527a_200000126710_100103153847 [0,2,0,0,0,0|1,0,0]=3 7731 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Br 11a_100009813730_100015343762 [0,2,0,0,0,0|1,0,0]=3 7732 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Br 1626a_100009813730_100015343762 [0,2,0,0,0,0|1,0,0]=3 7733 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Br 22a_100009813730_100000070787 [0,2,0,0,0,0|1,0,0]=3 7734 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Cl 11a_100000036759_100015343762 [0,2,0,0,0,0|1,0,0]=3 7735 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)Cl 1626a_100000036759_100015343762 [0,2,0,0,0,0|1,0,0]=3 7736 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)F 11a_100000038966_100015343762 [0,2,0,0,0,0|1,0,0]=3 7737 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)F 1626a_100000038966_100015343762 [0,2,0,0,0,0|1,0,0]=3 7738 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 22a_200000098347_100000070787 [0,2,0,0,0,0|1,0,0]=3 7739 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 527a_200000098347_100103153847 [0,2,0,0,0,0|1,0,0]=3 7740 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Br 11a_100010200256_100015343762 [0,2,0,0,0,0|1,0,0]=3 7741 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Br 1626a_100010200256_100015343762 [0,2,0,0,0,0|1,0,0]=3 7742 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)C 11a_100000062217_100015343762 [0,2,0,0,0,0|1,0,0]=3 7743 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)C 1626a_100000062217_100015343762 [0,2,0,0,0,0|1,0,0]=3 7744 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)C 22a_100000062217_100000070787 [0,2,0,0,0,0|1,0,0]=3 7745 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Cl 11a_100000088996_100015343762 [0,2,0,0,0,0|1,0,0]=3 7746 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)Cl 1626a_100000088996_100015343762 [0,2,0,0,0,0|1,0,0]=3 7747 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F 11a_100000210235_100015343762 [0,2,0,0,0,0|1,0,0]=3 7748 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F 1626a_100000210235_100015343762 [0,2,0,0,0,0|1,0,0]=3 7749 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F 22a_100000210235_100000070787 [0,2,0,0,0,0|1,0,0]=3 7750 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)I 11a_100010291506_100015343762 [0,2,0,0,0,0|1,0,0]=3 7751 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)I 1626a_100010291506_100015343762 [0,2,0,0,0,0|1,0,0]=3 7752 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 22a_100015204651_100000070787 [0,2,0,0,0,0|1,0,0]=3 7753 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 527a_100015204651_100103153847 [0,2,0,0,0,0|1,0,0]=3 7754 B13R1.3528 CC(=O)Nc1ccc(c(c1F)I)F 11a_100015510717_100015343762 [0,2,0,0,0,0|1,0,0]=3 7755 B13R1.3528 CC(=O)Nc1ccc(c(c1F)I)F 1626a_100015510717_100015343762 [0,2,0,0,0,0|1,0,0]=3 7756 B13R1.3528 CC(=O)Nc1ccc(c(c1F)I)F 22a_100015510717_100000070787 [0,2,0,0,0,0|1,0,0]=3 7757 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Br)F 11a_100020765651_100015343762 [0,2,0,0,0,0|1,0,0]=3 7758 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Br)F 1626a_100020765651_100015343762 [0,2,0,0,0,0|1,0,0]=3 7759 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Br 11a_200010779962_100015343762 [0,2,0,0,0,0|1,0,0]=3 7760 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Br 1626a_200010779962_100015343762 [0,2,0,0,0,0|1,0,0]=3 7761 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Cl 11a_200011093878_100015343762 [0,2,0,0,0,0|1,0,0]=3 7762 B13R1.3528 CC(=O)Nc1ccc(c(c1I)Cl)Cl 1626a_200011093878_100015343762 [0,2,0,0,0,0|1,0,0]=3 7763 B13R1.3528 CC(=O)Nc1ccc(c(c1I)F)Cl 11a_100010134325_100015343762 [0,2,0,0,0,0|1,0,0]=3 7764 B13R1.3528 CC(=O)Nc1ccc(c(c1I)F)Cl 1626a_100010134325_100015343762 [0,2,0,0,0,0|1,0,0]=3 7765 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 22a_100010128263_100000070787 [0,2,0,0,0,0|0,0,0]=2 7766 B13R1.3528 CC(=O)Nc1ccc(c(c1O)Br)F 527a_100010128263_100103153847 [0,2,0,0,0,0|0,0,0]=2 7767 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 22a_100015205010_100000070787 [0,2,0,0,0,0|0,0,0]=2 7768 B13R1.3528 CC(=O)Nc1ccc(c(c1O)F)F 527a_100015205010_100103153847 [0,2,0,0,0,0|0,0,0]=2 7769 B13R1.3528 CC(C)Nc1ccc(c(c1O)Br)F 34a_100010128263_100000210206 [0,2,0,0,0,0|1,0,1]=4 7770 B13R1.3528 CC(C)Nc1ccc(c(c1O)F)F 34a_100015205010_100000210206 [0,2,0,0,0,0|1,0,1]=4 7771 B13R1.3528 Cc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_100011217901_200025704644 [0,2,0,0,0,0|2,0,0]=4 7772 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200025704644 [0,2,0,0,0,0|2,0,0]=4 7773 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200025704644 [0,2,0,0,0,0|2,0,0]=4 7774 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200025704644 [0,2,0,0,0,0|2,0,0]=4 7775 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200025704644 [0,2,0,0,0,0|2,0,0]=4 7776 B13R1.653 C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100011290941_100000152120 [0,2,0,0,0,0|1,0,0]=3 7777 B13R1.653 C=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100011290941_100011273303 [0,2,0,0,0,0|1,0,0]=3 7778 B13R1.653 C=Cc1ccc(c(c1)F)NC(=O)C 271570a_100011290941_100000155584 [0,2,0,0,0,0|1,0,0]=3 7779 B13R1.653 C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100011290941_100009811628 [0,2,0,0,0,0|2,0,0]=4 7780 B13R1.653 C=Cc1ccc(c(c1)N)NC(=O)C 271570a_100011290941_100000749274 [0,2,0,0,0,0|1,0,0]=3 7781 B13R1.653 C=Cc1cnc(c(c1)C)NC(=O)C 271570a_100011290941_200011934169 [0,2,0,0,0,0|2,0,0]=4 7782 B13R1.653 CC(=Cc1ccc(cc1O)C#N)C 271570a_100102525489_100000724445 [0,2,0,0,0,0|2,0,0]=4 7783 B13R1.653 CC(=Cc1ccc(cc1O)C=O)C 271570a_100102525489_100000041418 [0,2,0,0,0,0|2,0,0]=4 7784 B13R1.653 CC(=Cc1ccc(cc1O)CO)C 271570a_100102525489_100000049605 [0,2,0,0,0,0|2,0,0]=4 7785 B13R1.653 CC(=O)Cc1ccc(cc1Br)C#N 1458a_100000070787_100000694769 [0,2,0,0,0,0|2,0,0]=4 7786 B13R1.653 CC(=O)Cc1ccc(cc1Cl)C#N 1458a_100000070787_100000709902 [0,2,0,0,0,0|2,0,0]=4 7787 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,2,0,0,0,0|2,0,0]=4 7788 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,2,0,0,0,0|2,0,0]=4 7789 B13R1.653 CC(=O)Cc1ccc(cc1F)C#N 1458a_100000070787_100000239720 [0,2,0,0,0,0|2,0,0]=4 7790 B13R1.653 CC(=O)Cc1ccc(cc1I)C#N 1458a_100000070787_100010079267 [0,2,0,0,0,0|2,0,0]=4 7791 B13R1.653 CC(=O)Nc1ccc(cc1Br)C#N 1626a_100000736769_100015343762 [0,2,0,0,0,0|1,0,0]=3 7792 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 11a_100011216260_100015343762 [0,2,0,0,0,0|1,0,0]=3 7793 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 1626a_100011216260_100015343762 [0,2,0,0,0,0|1,0,0]=3 7794 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 527a_100011216260_100103153847 [0,2,0,0,0,0|1,0,0]=3 7795 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,2,0,0,0,0|1,0,0]=3 7796 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [0,2,0,0,0,0|1,0,0]=3 7797 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [0,2,0,0,0,0|1,0,0]=3 7798 B13R1.653 CC(=O)Nc1ccc(cc1C)S[13CH3] 62a_200025704644_100000152120 [0,2,0,0,0,0|1,0,0]=3 7799 B13R1.653 CC(=O)Nc1ccc(cc1Cl)C#N 1626a_100000690208_100015343762 [0,2,0,0,0,0|1,0,0]=3 7800 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 34a_100000244014_200025704644 [0,2,0,0,0,0|1,0,0]=3 7801 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 7a_100000244014_200025704644 [0,2,0,0,0,0|1,0,0]=3 7802 B13R1.653 CC(=O)Nc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011273303 [0,2,0,0,0,0|1,0,0]=3 7803 B13R1.653 CC(=O)Nc1ccc(cc1F)C#N 11a_100000760432_100015343762 [0,2,0,0,0,0|1,0,0]=3 7804 B13R1.653 CC(=O)Nc1ccc(cc1F)C#N 1626a_100000760432_100015343762 [0,2,0,0,0,0|1,0,0]=3 7805 B13R1.653 CC(=O)Nc1ccc(cc1F)S[13CH3] 62a_200025704644_100000155584 [0,2,0,0,0,0|1,0,0]=3 7806 B13R1.653 CC(=O)Nc1ccc(cc1I)C#N 1626a_100000067503_100015343762 [0,2,0,0,0,0|1,0,0]=3 7807 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000070787 [0,2,0,0,0,0|0,0,0]=2 7808 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 271570a_203496583355_200011214909 [0,2,0,0,0,0|0,0,0]=2 7809 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100103153847 [0,2,0,0,0,0|0,0,0]=2 7810 B13R1.653 CC(=O)Nc1ncc(cc1C)S[13CH3] 62a_200025704644_200011934169 [0,2,0,0,0,0|2,0,0]=4 7811 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [0,2,0,0,0,0|2,0,0]=4 7812 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [0,2,0,0,0,0|2,0,0]=4 7813 B13R1.653 CC(C)Nc1ccc(cc1O)C#N 34a_100011997735_100000210206 [0,2,0,0,0,0|1,0,1]=4 7814 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 11a_100012339725_100015343762 [0,2,0,0,0,0|1,0,0]=3 7815 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 1626a_100012339725_100015343762 [0,2,0,0,0,0|1,0,0]=3 7816 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 527a_100012339725_100103153847 [0,2,0,0,0,0|1,0,0]=3 7817 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [0,2,0,0,0,0|1,0,0]=3 7818 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [0,2,0,0,0,0|1,0,0]=3 7819 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [0,2,0,0,0,0|1,0,0]=3 7820 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [0,2,0,0,0,0|1,0,0]=3 7821 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 11a_100016177294_100015343762 [0,2,0,0,0,0|1,0,0]=3 7822 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 1626a_100016177294_100015343762 [0,2,0,0,0,0|1,0,0]=3 7823 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 22a_100016177294_100000070787 [0,2,0,0,0,0|1,0,0]=3 7824 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 527a_100016177294_100103153847 [0,2,0,0,0,0|1,0,0]=3 7825 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,2,0,0,0,0|0,0,0]=2 7826 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,2,0,0,0,0|0,0,0]=2 7827 B13R1.653 CCc1ccc(c(c1)O)NC(C)C 34a_100000124328_100000210206 [0,2,0,0,0,0|1,0,1]=4 7828 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [0,2,0,0,0,0|1,0,0]=3 7829 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [0,2,0,0,0,0|1,0,0]=3 7830 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_200000210301 [0,2,0,0,0,0|1,0,0]=3 7831 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_200000210301 [0,2,0,0,0,0|1,0,0]=3 7832 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,2,0,0,0,0|2,0,0]=4 7833 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,2,0,0,0,0|2,0,0]=4 7834 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,2,0,0,0,0|2,0,0]=4 7835 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,2,0,0,0,0|1,0,0]=3 7836 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,2,0,0,0,0|1,0,0]=3 7837 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,2,0,0,0,0|1,0,0]=3 7838 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,2,0,0,0,0|1,0,0]=3 7839 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,2,0,0,0,0|2,0,0]=4 7840 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,2,0,0,0,0|2,0,0]=4 7841 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,2,0,0,0,0|1,0,0]=3 7842 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,2,0,0,0,0|1,0,0]=3 7843 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,2,0,0,0,0|1,0,0]=3 7844 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,2,0,0,0,0|1,0,0]=3 7845 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,2,0,0,0,0|2,0,0]=4 7846 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7847 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,2,0,0,0,0|2,0,0]=4 7848 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,2,0,0,0,0|2,0,0]=4 7849 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7850 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,2,0,0,0,0|1,0,0]=3 7851 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,2,0,0,0,0|1,0,0]=3 7852 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,2,0,0,0,0|1,0,0]=3 7853 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,2,0,0,0,0|1,0,0]=3 7854 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,2,0,0,0,0|2,0,0]=4 7855 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,2,0,0,0,0|2,0,0]=4 7856 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,2,0,0,0,0|2,0,0]=4 7857 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,2,0,0,0,0|1,0,0]=3 7858 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,2,0,0,0,0|1,0,0]=3 7859 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,2,0,0,0,0|1,0,0]=3 7860 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,2,0,0,0,0|1,0,0]=3 7861 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,2,0,0,0,0|1,0,0]=3 7862 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,2,0,0,0,0|1,0,0]=3 7863 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,2,0,0,0,0|1,0,0]=3 7864 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,2,0,0,0,0|1,0,0]=3 7865 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,2,0,0,0,0|2,0,0]=4 7866 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,2,0,0,0,0|0,0,0]=2 7867 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,2,0,0,0,0|0,0,0]=2 7868 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,2,0,0,0,0|1,0,1]=4 7869 B13R1.653 CSc1ccc(c(c1)C)NC(=O)C 62a_200000210301_100000152120 [0,2,0,0,0,0|1,0,0]=3 7870 B13R1.653 CSc1ccc(c(c1)Cl)NC(=O)C 62a_200000210301_100011273303 [0,2,0,0,0,0|1,0,0]=3 7871 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 11a_100012056844_100015343762 [0,2,0,0,0,0|1,0,0]=3 7872 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 1626a_100012056844_100015343762 [0,2,0,0,0,0|1,0,0]=3 7873 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 22a_100012056844_100000070787 [0,2,0,0,0,0|1,0,0]=3 7874 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 527a_100012056844_100103153847 [0,2,0,0,0,0|1,0,0]=3 7875 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 62a_200000210301_100000155584 [0,2,0,0,0,0|1,0,0]=3 7876 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [0,2,0,0,0,0|2,0,0]=4 7877 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [0,2,0,0,0,0|2,0,0]=4 7878 B13R1.653 CSc1cnc(c(c1)C)NC(=O)C 62a_200000210301_200011934169 [0,2,0,0,0,0|2,0,0]=4 7879 B13R1.2679 C#CC(C)Nc1ccc(cc1O)Br 34a_100000739049_200000035995 [0,2,0,0,0,0|1,0,1]=4 7880 B13R1.2679 C#CC(C)Nc1ccc(cc1O)C 34a_100000211527_200000035995 [0,2,0,0,0,0|1,0,1]=4 7881 B13R1.2679 C#CC(C)Nc1ccc(cc1O)Cl 34a_100000185728_200000035995 [0,2,0,0,0,0|1,0,1]=4 7882 B13R1.2679 C#CC(C)Nc1ccc(cc1O)F 34a_100000753323_200000035995 [0,2,0,0,0,0|1,0,1]=4 7883 B13R1.2679 C#CC(C)Nc1ccc(cc1O)O 34a_100000106777_200000035995 [0,2,0,0,0,0|1,0,1]=4 7884 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100000185746 [0,2,0,0,0,0|1,0,1]=4 7885 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100000185746 [0,2,0,0,0,0|1,0,1]=4 7886 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100000185746 [0,2,0,0,0,0|1,0,1]=4 7887 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100000185746 [0,2,0,0,0,0|1,0,1]=4 7888 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100000185746 [0,2,0,0,0,0|1,0,1]=4 7889 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000185746 [0,2,0,0,0,0|1,0,1]=4 7890 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000185746 [0,2,0,0,0,0|1,0,1]=4 7891 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000185746 [0,2,0,0,0,0|1,0,1]=4 7892 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000185746 [0,2,0,0,0,0|1,0,1]=4 7893 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000185746 [0,2,0,0,0,0|1,0,1]=4 7894 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000185746 [0,2,0,0,0,0|1,0,1]=4 7895 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000185746 [0,2,0,0,0,0|1,0,1]=4 7896 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000185746 [0,2,0,0,0,0|1,0,1]=4 7897 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000185746 [0,2,0,0,0,0|1,0,1]=4 7898 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000185746 [0,2,0,0,0,0|1,0,1]=4 7899 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000185746 [0,2,0,0,0,0|1,0,1]=4 7900 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000185746 [0,2,0,0,0,0|1,0,1]=4 7901 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100000185746 [0,2,0,0,0,0|1,0,1]=4 7902 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100000185746 [0,2,0,0,0,0|1,0,1]=4 7903 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000185746 [0,2,0,0,0,0|1,0,1]=4 7904 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100000185746 [0,2,0,0,0,0|1,0,1]=4 7905 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000185746 [0,2,0,0,0,0|1,0,1]=4 7906 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100000185746 [0,2,0,0,0,0|1,0,1]=4 7907 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000185746 [0,2,0,0,0,0|1,0,1]=4 7908 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100000185746 [0,2,0,0,0,0|1,0,1]=4 7909 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000185746 [0,2,0,0,0,0|1,0,1]=4 7910 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000185746 [0,2,0,0,0,0|1,0,1]=4 7911 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000185746 [0,2,0,0,0,0|1,0,1]=4 7912 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000185746 [0,2,0,0,0,0|1,0,1]=4 7913 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000185746 [0,2,0,0,0,0|1,0,1]=4 7914 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000185746 [0,2,0,0,0,0|1,0,1]=4 7915 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000185746 [0,2,0,0,0,0|1,0,1]=4 7916 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000185746 [0,2,0,0,0,0|1,0,1]=4 7917 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000185746 [0,2,0,0,0,0|1,0,1]=4 7918 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000185746 [0,2,0,0,0,0|1,0,1]=4 7919 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000185746 [0,2,0,0,0,0|1,0,1]=4 7920 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000185746 [0,2,0,0,0,0|1,0,1]=4 7921 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000185746 [0,2,0,0,0,0|1,0,1]=4 7922 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100000185746 [0,2,0,0,0,0|1,0,1]=4 7923 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100000185746 [0,2,0,0,0,0|1,0,1]=4 7924 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100000185746 [0,2,0,0,0,0|1,0,1]=4 7925 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100000185746 [0,2,0,0,0,0|1,0,1]=4 7926 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000185746 [0,2,0,0,0,0|1,0,1]=4 7927 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100000185746 [0,2,0,0,0,0|1,0,1]=4 7928 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000185746 [0,2,0,0,0,0|1,0,1]=4 7929 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000185746 [0,2,0,0,0,0|0,0,1]=3 7930 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000185746 [0,2,0,0,0,0|0,0,1]=3 7931 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000185746 [0,2,0,0,0,0|0,0,1]=3 7932 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000185746 [0,2,0,0,0,0|0,0,1]=3 7933 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000185746 [0,2,0,0,0,0|0,0,1]=3 7934 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,2,0,0,0,0|0,0,1]=3 7935 B13R1.2679 CC(=Cc1ccc(cc1O)I)C#N 6a_100000050530_200000212204 [0,2,0,0,0,0|2,0,0]=4 7936 B13R1.2679 CC(CO)Nc1ccc(cc1O)Br 34a_100000739049_100012180447 [0,2,0,0,0,0|0,0,2]=4 7937 B13R1.2679 CC(CO)Nc1ccc(cc1O)Cl 34a_100000185728_100012180447 [0,2,0,0,0,0|0,0,2]=4 7938 B13R1.2679 CC(CO)Nc1ccc(cc1O)F 34a_100000753323_100012180447 [0,2,0,0,0,0|0,0,2]=4 7939 B13R1.2679 CC(CO)Nc1ccc(cc1O)O 34a_100000106777_100012180447 [0,2,0,0,0,0|0,0,2]=4 7940 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Br 1458a_100000210414_200012351560 [0,2,0,0,0,0|2,0,0]=4 7941 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_100000210202 [0,2,0,0,0,0|2,0,0]=4 7942 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Cl 1458a_100000210414_100000755608 [0,2,0,0,0,0|2,0,0]=4 7943 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_100000210202 [0,2,0,0,0,0|2,0,0]=4 7944 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)F 1458a_100000210414_100000243222 [0,2,0,0,0,0|2,0,0]=4 7945 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_100000210202 [0,2,0,0,0,0|2,0,0]=4 7946 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)I 1458a_100000210414_100010146610 [0,2,0,0,0,0|2,0,0]=4 7947 B13R1.2679 CCC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_100000210202 [0,2,0,0,0,0|2,0,0]=4 7948 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Br 1458a_100000210414_100000708836 [0,2,0,0,0,0|2,0,0]=4 7949 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_100000210202 [0,2,0,0,0,0|2,0,0]=4 7950 B13R1.2679 CCC(=O)Cc1ccc(cc1C)C 1458a_100000210414_100011219618 [0,2,0,0,0,0|2,0,0]=4 7951 B13R1.2679 CCC(=O)Cc1ccc(cc1C)C 1458a_100011236500_100000210202 [0,2,0,0,0,0|2,0,0]=4 7952 B13R1.2679 CCC(=O)Cc1ccc(cc1C)Cl 1458a_100000210414_100012361307 [0,2,0,0,0,0|2,0,0]=4 7953 B13R1.2679 CCC(=O)Cc1ccc(cc1C)F 1458a_100000210414_100000700533 [0,2,0,0,0,0|2,0,0]=4 7954 B13R1.2679 CCC(=O)Cc1ccc(cc1C)F 1458a_100011667441_100000210202 [0,2,0,0,0,0|2,0,0]=4 7955 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100000210414_100011740631 [0,2,0,0,0,0|2,0,0]=4 7956 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_100000210202 [0,2,0,0,0,0|2,0,0]=4 7957 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)C 1458a_100000210414_100012349684 [0,2,0,0,0,0|2,0,0]=4 7958 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210414_100000188473 [0,2,0,0,0,0|2,0,0]=4 7959 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100000210202 [0,2,0,0,0,0|2,0,0]=4 7960 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000210414_100011216360 [0,2,0,0,0,0|2,0,0]=4 7961 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_100000210202 [0,2,0,0,0,0|2,0,0]=4 7962 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Br 1458a_100000210414_100000211606 [0,2,0,0,0,0|2,0,0]=4 7963 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_100000210202 [0,2,0,0,0,0|2,0,0]=4 7964 B13R1.2679 CCC(=O)Cc1ccc(cc1F)C 1458a_100000042674_100000210202 [0,2,0,0,0,0|2,0,0]=4 7965 B13R1.2679 CCC(=O)Cc1ccc(cc1F)C 1458a_100000210414_100012002367 [0,2,0,0,0,0|2,0,0]=4 7966 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Cl 1458a_100000210414_100000709361 [0,2,0,0,0,0|2,0,0]=4 7967 B13R1.2679 CCC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_100000210202 [0,2,0,0,0,0|2,0,0]=4 7968 B13R1.2679 CCC(=O)Cc1ccc(cc1F)F 1458a_100000210414_100000748237 [0,2,0,0,0,0|2,0,0]=4 7969 B13R1.2679 CCC(=O)Cc1ccc(cc1F)F 1458a_100000684719_100000210202 [0,2,0,0,0,0|2,0,0]=4 7970 B13R1.2679 CCC(=O)Cc1ccc(cc1F)I 1458a_100000210414_100010244991 [0,2,0,0,0,0|2,0,0]=4 7971 B13R1.2679 CCC(=O)Cc1ccc(cc1F)I 1458a_100010149628_100000210202 [0,2,0,0,0,0|2,0,0]=4 7972 B13R1.2679 CCC(=O)Cc1ccc(cc1F)O 1458a_100000090534_100000210202 [0,2,0,0,0,0|2,0,0]=4 7973 B13R1.2679 CCC(=O)Cc1ccc(cc1I)Br 1458a_100000210414_100010146615 [0,2,0,0,0,0|2,0,0]=4 7974 B13R1.2679 CCC(=O)Cc1ccc(cc1I)Cl 1458a_100000210414_100010254388 [0,2,0,0,0,0|2,0,0]=4 7975 B13R1.2679 CCC(=O)Cc1ccc(cc1I)F 1458a_100000210414_100012354799 [0,2,0,0,0,0|2,0,0]=4 7976 B13R1.2679 CCC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_100000210202 [0,2,0,0,0,0|1,0,0]=3 7977 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100000210414 [0,2,0,0,0,0|1,0,0]=3 7978 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100000210414 [0,2,0,0,0,0|1,0,0]=3 7979 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100000210414 [0,2,0,0,0,0|1,0,0]=3 7980 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100000210414 [0,2,0,0,0,0|1,0,0]=3 7981 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100000210414 [0,2,0,0,0,0|1,0,0]=3 7982 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100000210414 [0,2,0,0,0,0|1,0,0]=3 7983 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100000210414 [0,2,0,0,0,0|1,0,0]=3 7984 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100000210414 [0,2,0,0,0,0|1,0,0]=3 7985 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100000210414 [0,2,0,0,0,0|1,0,0]=3 7986 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100000210414 [0,2,0,0,0,0|1,0,0]=3 7987 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000210414 [0,2,0,0,0,0|1,0,0]=3 7988 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100000210414 [0,2,0,0,0,0|1,0,0]=3 7989 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100000210414 [0,2,0,0,0,0|1,0,0]=3 7990 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000210414 [0,2,0,0,0,0|1,0,0]=3 7991 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000210414 [0,2,0,0,0,0|1,0,0]=3 7992 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 11a_100000736561_100000210414 [0,2,0,0,0,0|1,0,0]=3 7993 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000210414 [0,2,0,0,0,0|1,0,0]=3 7994 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000210414 [0,2,0,0,0,0|1,0,0]=3 7995 B13R1.2679 CCC(=O)Nc1ccc(cc1C)C 527a_100000736561_100000210414 [0,2,0,0,0,0|1,0,0]=3 7996 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100000210414 [0,2,0,0,0,0|1,0,0]=3 7997 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000210414 [0,2,0,0,0,0|1,0,0]=3 7998 B13R1.2679 CCC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000210414 [0,2,0,0,0,0|1,0,0]=3 7999 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 11a_100000211637_100000210414 [0,2,0,0,0,0|1,0,0]=3 8000 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000210414 [0,2,0,0,0,0|1,0,0]=3 8001 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000210414 [0,2,0,0,0,0|1,0,0]=3 8002 B13R1.2679 CCC(=O)Nc1ccc(cc1C)F 527a_100000211637_100000210414 [0,2,0,0,0,0|1,0,0]=3 8003 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 11a_100000184554_100000210414 [0,2,0,0,0,0|1,0,0]=3 8004 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000210414 [0,2,0,0,0,0|1,0,0]=3 8005 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000210414 [0,2,0,0,0,0|1,0,0]=3 8006 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000210414 [0,2,0,0,0,0|1,0,0]=3 8007 B13R1.2679 CCC(=O)Nc1ccc(cc1C)O 527a_100000756630_100000210414 [0,2,0,0,0,0|1,0,0]=3 8008 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100000210414 [0,2,0,0,0,0|1,0,0]=3 8009 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100000210414 [0,2,0,0,0,0|1,0,0]=3 8010 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100000210414 [0,2,0,0,0,0|1,0,0]=3 8011 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100000210414 [0,2,0,0,0,0|1,0,0]=3 8012 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000210414 [0,2,0,0,0,0|1,0,0]=3 8013 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100000210414 [0,2,0,0,0,0|1,0,0]=3 8014 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100000210414 [0,2,0,0,0,0|1,0,0]=3 8015 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210414 [0,2,0,0,0,0|1,0,0]=3 8016 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100000210414 [0,2,0,0,0,0|1,0,0]=3 8017 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100000210414 [0,2,0,0,0,0|1,0,0]=3 8018 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000210414 [0,2,0,0,0,0|1,0,0]=3 8019 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100000210414 [0,2,0,0,0,0|1,0,0]=3 8020 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100000210414 [0,2,0,0,0,0|1,0,0]=3 8021 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000210414 [0,2,0,0,0,0|1,0,0]=3 8022 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000210414 [0,2,0,0,0,0|1,0,0]=3 8023 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100000210414 [0,2,0,0,0,0|1,0,0]=3 8024 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100000210414 [0,2,0,0,0,0|1,0,0]=3 8025 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000210414 [0,2,0,0,0,0|1,0,0]=3 8026 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000210414 [0,2,0,0,0,0|1,0,0]=3 8027 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 11a_100000211023_100000210414 [0,2,0,0,0,0|1,0,0]=3 8028 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000210414 [0,2,0,0,0,0|1,0,0]=3 8029 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000210414 [0,2,0,0,0,0|1,0,0]=3 8030 B13R1.2679 CCC(=O)Nc1ccc(cc1F)C 527a_100000211023_100000210414 [0,2,0,0,0,0|1,0,0]=3 8031 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100000210414 [0,2,0,0,0,0|1,0,0]=3 8032 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000210414 [0,2,0,0,0,0|1,0,0]=3 8033 B13R1.2679 CCC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000210414 [0,2,0,0,0,0|1,0,0]=3 8034 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 11a_100000210720_100000210414 [0,2,0,0,0,0|1,0,0]=3 8035 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000210414 [0,2,0,0,0,0|1,0,0]=3 8036 B13R1.2679 CCC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000210414 [0,2,0,0,0,0|1,0,0]=3 8037 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 11a_100011215594_100000210414 [0,2,0,0,0,0|1,0,0]=3 8038 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000210414 [0,2,0,0,0,0|1,0,0]=3 8039 B13R1.2679 CCC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000210414 [0,2,0,0,0,0|1,0,0]=3 8040 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000210414 [0,2,0,0,0,0|1,0,0]=3 8041 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O 527a_100000759473_100000210414 [0,2,0,0,0,0|1,0,0]=3 8042 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100000210414 [0,2,0,0,0,0|1,0,0]=3 8043 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100000210414 [0,2,0,0,0,0|1,0,0]=3 8044 B13R1.2679 CCC(=O)Nc1ccc(cc1I)C 11a_100011356834_100000210414 [0,2,0,0,0,0|1,0,0]=3 8045 B13R1.2679 CCC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100000210414 [0,2,0,0,0,0|1,0,0]=3 8046 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100000210414 [0,2,0,0,0,0|1,0,0]=3 8047 B13R1.2679 CCC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100000210414 [0,2,0,0,0,0|1,0,0]=3 8048 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F 11a_100000760547_100000210414 [0,2,0,0,0,0|1,0,0]=3 8049 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100000210414 [0,2,0,0,0,0|1,0,0]=3 8050 B13R1.2679 CCC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000210414 [0,2,0,0,0,0|1,0,0]=3 8051 B13R1.2679 CCC(=O)Nc1ccc(cc1I)I 11a_100010002754_100000210414 [0,2,0,0,0,0|1,0,0]=3 8052 B13R1.2679 CCC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100000210414 [0,2,0,0,0,0|1,0,0]=3 8053 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000210414 [0,2,0,0,0,0|1,0,0]=3 8054 B13R1.2679 CCC(=O)Nc1ccc(cc1I)O 527a_100010084370_100000210414 [0,2,0,0,0,0|1,0,0]=3 8055 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000210414 [0,2,0,0,0,0|0,0,0]=2 8056 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100000210414 [0,2,0,0,0,0|0,0,0]=2 8057 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000210414 [0,2,0,0,0,0|0,0,0]=2 8058 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152038 [0,2,0,0,0,0|0,0,0]=2 8059 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 527a_100000211527_100000210414 [0,2,0,0,0,0|0,0,0]=2 8060 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000210414 [0,2,0,0,0,0|0,0,0]=2 8061 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100000210414 [0,2,0,0,0,0|0,0,0]=2 8062 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000210414 [0,2,0,0,0,0|0,0,0]=2 8063 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 527a_100000753323_100000210414 [0,2,0,0,0,0|0,0,0]=2 8064 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000210414 [0,2,0,0,0,0|0,0,0]=2 8065 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 527a_100000057187_100000210414 [0,2,0,0,0,0|0,0,0]=2 8066 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000210414 [0,2,0,0,0,0|0,0,0]=2 8067 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 527a_100000106777_100000210414 [0,2,0,0,0,0|0,0,0]=2 8068 B13R1.2679 CCC(C)Nc1ccc(cc1O)Br 34a_100000739049_100011215416 [0,2,0,0,0,0|1,0,1]=4 8069 B13R1.2679 CCC(C)Nc1ccc(cc1O)C 34a_100000211527_100011215416 [0,2,0,0,0,0|1,0,1]=4 8070 B13R1.2679 CCC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100011215416 [0,2,0,0,0,0|1,0,1]=4 8071 B13R1.2679 CCC(C)Nc1ccc(cc1O)F 34a_100000753323_100011215416 [0,2,0,0,0,0|1,0,1]=4 8072 B13R1.2679 CCC(C)Nc1ccc(cc1O)O 34a_100000106777_100011215416 [0,2,0,0,0,0|1,0,1]=4 8073 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 11a_106832991635_100010172832 [0,2,0,0,0,0|2,0,0]=4 8074 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 240690a_100102657272_100010172832 [0,2,0,0,0,0|2,0,0]=4 8075 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 527a_100102657272_100010172832 [0,2,0,0,0,0|2,0,0]=4 8076 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 11a_106832991635_100000755479 [0,2,0,0,0,0|2,0,0]=4 8077 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 1626a_100102657272_100000755479 [0,2,0,0,0,0|2,0,0]=4 8078 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 240690a_100102657272_100000755479 [0,2,0,0,0,0|2,0,0]=4 8079 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 527a_100102657272_100000755479 [0,2,0,0,0,0|2,0,0]=4 8080 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 11a_106832991635_100000708238 [0,2,0,0,0,0|2,0,0]=4 8081 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 1626a_100102657272_100000708238 [0,2,0,0,0,0|2,0,0]=4 8082 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 240690a_100102657272_100000708238 [0,2,0,0,0,0|2,0,0]=4 8083 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 527a_100102657272_100000708238 [0,2,0,0,0,0|2,0,0]=4 8084 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 240690a_100102657272_100010176083 [0,2,0,0,0,0|2,0,0]=4 8085 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 527a_100102657272_100010176083 [0,2,0,0,0,0|2,0,0]=4 8086 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,2,0,0,0,0|2,0,0]=4 8087 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,2,0,0,0,0|2,0,0]=4 8088 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,2,0,0,0,0|2,0,0]=4 8089 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,2,0,0,0,0|2,0,0]=4 8090 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,2,0,0,0,0|2,0,0]=4 8091 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,2,0,0,0,0|2,0,0]=4 8092 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,2,0,0,0,0|2,0,0]=4 8093 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,2,0,0,0,0|2,0,0]=4 8094 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,2,0,0,0,0|2,0,0]=4 8095 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,2,0,0,0,0|2,0,0]=4 8096 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,2,0,0,0,0|2,0,0]=4 8097 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,2,0,0,0,0|2,0,0]=4 8098 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 11a_106832991635_100012361378 [0,2,0,0,0,0|2,0,0]=4 8099 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 1626a_100102657272_100012361378 [0,2,0,0,0,0|2,0,0]=4 8100 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 240690a_100102657272_100012361378 [0,2,0,0,0,0|2,0,0]=4 8101 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 527a_100102657272_100012361378 [0,2,0,0,0,0|2,0,0]=4 8102 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 11a_106832991635_100000210926 [0,2,0,0,0,0|2,0,0]=4 8103 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100102657272_100000210926 [0,2,0,0,0,0|2,0,0]=4 8104 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100102657272_100000210926 [0,2,0,0,0,0|2,0,0]=4 8105 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 527a_100102657272_100000210926 [0,2,0,0,0,0|2,0,0]=4 8106 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 11a_106832991635_100000690284 [0,2,0,0,0,0|2,0,0]=4 8107 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 1626a_100102657272_100000690284 [0,2,0,0,0,0|2,0,0]=4 8108 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 240690a_100102657272_100000690284 [0,2,0,0,0,0|2,0,0]=4 8109 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 527a_100102657272_100000690284 [0,2,0,0,0,0|2,0,0]=4 8110 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,2,0,0,0,0|2,0,0]=4 8111 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,2,0,0,0,0|2,0,0]=4 8112 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,2,0,0,0,0|2,0,0]=4 8117 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,2,0,0,0,0|2,0,0]=4 8118 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,2,0,0,0,0|2,0,0]=4 8119 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,2,0,0,0,0|2,0,0]=4 8120 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,2,0,0,0,0|2,0,0]=4 8121 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,2,0,0,0,0|2,0,0]=4 8122 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,2,0,0,0,0|2,0,0]=4 8123 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,2,0,0,0,0|2,0,0]=4 8124 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,2,0,0,0,0|2,0,0]=4 8125 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,2,0,0,0,0|2,0,0]=4 8126 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,2,0,0,0,0|2,0,0]=4 8127 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,2,0,0,0,0|2,0,0]=4 8128 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,2,0,0,0,0|2,0,0]=4 8129 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,2,0,0,0,0|2,0,0]=4 8130 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,2,0,0,0,0|2,0,0]=4 8131 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,2,0,0,0,0|2,0,0]=4 8132 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,2,0,0,0,0|1,0,0]=3 8133 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Br 2430a_100000211012_100102657272 [0,2,0,0,0,0|1,0,0]=3 8134 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)C 2430a_100000210942_100102657272 [0,2,0,0,0,0|1,0,0]=3 8135 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Cl 2430a_100000752454_100102657272 [0,2,0,0,0,0|1,0,0]=3 8136 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)F 2430a_100000738039_100102657272 [0,2,0,0,0,0|1,0,0]=3 8137 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)I 2430a_100000750455_100102657272 [0,2,0,0,0,0|1,0,0]=3 8138 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)O 2430a_100012001276_100102657272 [0,2,0,0,0,0|1,0,0]=3 8139 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Br 2430a_100000211769_100102657272 [0,2,0,0,0,0|1,0,0]=3 8140 B13R1.2679 CNC(=O)Nc1ccc(cc1C)C 2430a_100000736561_100102657272 [0,2,0,0,0,0|1,0,0]=3 8141 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Cl 2430a_100000210418_100102657272 [0,2,0,0,0,0|1,0,0]=3 8142 B13R1.2679 CNC(=O)Nc1ccc(cc1C)F 2430a_100000211637_100102657272 [0,2,0,0,0,0|1,0,0]=3 8143 B13R1.2679 CNC(=O)Nc1ccc(cc1C)I 2430a_100000184554_100102657272 [0,2,0,0,0,0|1,0,0]=3 8144 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,2,0,0,0,0|1,0,0]=3 8145 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100102657272 [0,2,0,0,0,0|1,0,0]=3 8146 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100102657272 [0,2,0,0,0,0|1,0,0]=3 8147 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100102657272 [0,2,0,0,0,0|1,0,0]=3 8148 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100102657272 [0,2,0,0,0,0|1,0,0]=3 8149 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100102657272 [0,2,0,0,0,0|1,0,0]=3 8150 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,2,0,0,0,0|1,0,0]=3 8151 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Br 2430a_100000210722_100102657272 [0,2,0,0,0,0|1,0,0]=3 8152 B13R1.2679 CNC(=O)Nc1ccc(cc1F)C 2430a_100000211023_100102657272 [0,2,0,0,0,0|1,0,0]=3 8153 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Cl 2430a_100000211020_100102657272 [0,2,0,0,0,0|1,0,0]=3 8154 B13R1.2679 CNC(=O)Nc1ccc(cc1F)F 2430a_100000210720_100102657272 [0,2,0,0,0,0|1,0,0]=3 8155 B13R1.2679 CNC(=O)Nc1ccc(cc1F)I 2430a_100011215594_100102657272 [0,2,0,0,0,0|1,0,0]=3 8156 B13R1.2679 CNC(=O)Nc1ccc(cc1F)O 2430a_100000759473_100102657272 [0,2,0,0,0,0|1,0,0]=3 8157 B13R1.2679 CNC(=O)Nc1ccc(cc1I)C 2430a_100011356834_100102657272 [0,2,0,0,0,0|1,0,0]=3 8158 B13R1.2679 CNC(=O)Nc1ccc(cc1I)Cl 2430a_100000761889_100102657272 [0,2,0,0,0,0|1,0,0]=3 8159 B13R1.2679 CNC(=O)Nc1ccc(cc1I)F 2430a_100000760547_100102657272 [0,2,0,0,0,0|1,0,0]=3 8160 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 2430a_100010002754_100102657272 [0,2,0,0,0,0|1,0,0]=3 8161 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 512a_100010002754_100102657272 [0,2,0,0,0,0|1,0,0]=3 8162 B13R1.2679 CNC(=O)Nc1ccc(cc1I)O 2430a_100010084370_100102657272 [0,2,0,0,0,0|1,0,0]=3 8163 B13R1.2679 CNC(=O)Nc1ccc(cc1O)C 2430a_100000211527_100102657272 [0,2,0,0,0,0|0,0,0]=2 8164 B13R1.2679 CNC(=O)Nc1ccc(cc1O)Cl 2430a_100000185728_100102657272 [0,2,0,0,0,0|0,0,0]=2 8165 B13R1.2679 CNC(=O)Nc1ccc(cc1O)F 2430a_100000753323_100102657272 [0,2,0,0,0,0|0,0,0]=2 8166 B13R1.2679 CNC(=O)Nc1ccc(cc1O)I 2430a_100000057187_100102657272 [0,2,0,0,0,0|0,0,0]=2 8167 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,2,0,0,0,0|0,0,0]=2 8168 B13R1.2679 COC(=O)Cc1ccc(cc1F)O 271570a_203496583355_100013023952 [0,2,0,0,0,0|2,0,0]=4 8169 B13R1.2679 COC(=O)Cc1ccc(cc1O)F 271570a_203496583355_200012569216 [0,2,0,0,0,0|1,0,0]=3 8170 B13R1.2679 COC(=O)Cc1ccc(cc1O)O 271570a_203496583355_100010150832 [0,2,0,0,0,0|1,0,0]=3 8171 B13R1.2679 COC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000750523 [0,2,0,0,0,0|0,0,0]=2 8172 B13R1.2679 Cc1cc(ccc1CC(=O)CF)Br 1458a_100000697930_100015361967 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.2679 Cc1cc(ccc1CC(=O)CF)F 1458a_100011667441_100015361967 [0,2,0,0,0,0|2,0,0]=4 8174 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,2,0,0,0,0|2,0,0]=4 8175 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,2,0,0,0,0|2,0,0]=4 8176 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,2,0,0,0,0|2,0,0]=4 8177 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,2,0,0,0,0|1,0,0]=3 8178 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,2,0,0,0,0|1,0,0]=3 8179 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,2,0,0,0,0|1,0,0]=3 8180 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,2,0,0,0,0|1,0,0]=3 8181 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,2,0,0,0,0|1,0,0]=3 8182 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,2,0,0,0,0|1,0,0]=3 8183 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,2,0,0,0,0|1,0,0]=3 8184 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CF 1458a_100011236500_100015361967 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,2,0,0,0,0|1,0,0]=3 8187 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,2,0,0,0,0|1,0,0]=3 8188 B13R1.2679 Cc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_100012349684 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,2,0,0,0,0|1,0,0]=3 8190 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CF 1458a_100000042674_100015361967 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,2,0,0,0,0|2,0,0]=4 8192 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,2,0,0,0,0|1,0,0]=3 8193 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,2,0,0,0,0|1,0,0]=3 8194 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,2,0,0,0,0|0,0,0]=2 8195 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,2,0,0,0,0|0,0,0]=2 8196 B13R1.2679 Cc1ccc(c(c1)O)NC(C)CO 34a_100000211527_100012180447 [0,2,0,0,0,0|0,0,2]=4 8197 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)Br 1458a_100010172832_100015361967 [0,2,0,0,0,0|2,0,0]=4 8198 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)Cl 1458a_100000755479_100015361967 [0,2,0,0,0,0|2,0,0]=4 8199 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)F 1458a_100000708238_100015361967 [0,2,0,0,0,0|2,0,0]=4 8200 B13R1.2679 O=C(CF)Cc1ccc(cc1Br)O 1458a_100010176083_100015361967 [0,2,0,0,0,0|2,0,0]=4 8201 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)Br 1458a_100012361378_100015361967 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100015361967 [0,2,0,0,0,0|2,0,0]=4 8203 B13R1.2679 O=C(CF)Cc1ccc(cc1Cl)F 1458a_100000690284_100015361967 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.2679 O=C(CF)Cc1ccc(cc1F)Br 1458a_100011295475_100015361967 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.2679 O=C(CF)Cc1ccc(cc1F)Cl 1458a_100011830378_100015361967 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.2679 O=C(CF)Cc1ccc(cc1F)F 1458a_100000684719_100015361967 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.2679 O=C(CF)Cc1ccc(cc1F)I 1458a_100010149628_100015361967 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.2679 O=C(CF)Cc1ccc(cc1F)O 1458a_100000090534_100015361967 [0,2,0,0,0,0|2,0,0]=4 8209 B13R1.2679 O=C(CF)Cc1ccc(cc1O)Br 1458a_100000707504_100015361967 [0,2,0,0,0,0|1,0,0]=3 8210 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Br 1458a_100000210174_200012351560 [0,2,0,0,0,0|2,0,0]=4 8211 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,2,0,0,0,0|2,0,0]=4 8212 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)F 1458a_100000210174_100000243222 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)I 1458a_100000210174_100010146610 [0,2,0,0,0,0|2,0,0]=4 8214 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Br 1458a_100000210174_100011740631 [0,2,0,0,0,0|2,0,0]=4 8215 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,2,0,0,0,0|2,0,0]=4 8216 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)F 1458a_100000210174_100011216360 [0,2,0,0,0,0|2,0,0]=4 8217 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Br 1458a_100000210174_100010146615 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.2679 O=C(CO)Cc1ccc(cc1I)F 1458a_100000210174_100012354799 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,2,0,0,0,0|1,0,0]=3 8225 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,2,0,0,0,0|1,0,0]=3 8226 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,2,0,0,0,0|1,0,0]=3 8227 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,2,0,0,0,0|1,0,0]=3 8228 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,2,0,0,0,0|1,0,0]=3 8229 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,2,0,0,0,0|1,0,0]=3 8230 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,2,0,0,0,0|1,0,0]=3 8231 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,2,0,0,0,0|1,0,0]=3 8232 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,2,0,0,0,0|1,0,0]=3 8233 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,2,0,0,0,0|1,0,0]=3 8234 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,2,0,0,0,0|1,0,0]=3 8235 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,2,0,0,0,0|1,0,0]=3 8236 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,2,0,0,0,0|1,0,0]=3 8237 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,2,0,0,0,0|1,0,0]=3 8238 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,2,0,0,0,0|1,0,0]=3 8239 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,2,0,0,0,0|1,0,0]=3 8240 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,2,0,0,0,0|0,0,0]=2 8241 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,2,0,0,0,0|0,0,0]=2 8242 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,2,0,0,0,0|0,0,0]=2 8243 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,2,0,0,0,0|0,0,0]=2 8244 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,2,0,0,0,0|0,0,0]=2 8245 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,2,0,0,0,0|0,0,0]=2 8246 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,2,0,0,0,0|0,0,0]=2 8247 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,2,0,0,0,0|0,0,0]=2 8248 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,2,0,0,0,0|0,0,0]=2 8249 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,2,0,0,0,0|0,0,0]=2 8250 B13R1.2808 CC(=Cc1c(cc(cc1F)F)O)C 271570a_100102525489_100009815984 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.2808 CC(=Cc1c(cc(cc1O)C)C)C 271570a_100102525489_100010342985 [0,2,0,0,0,0|2,0,0]=4 8252 B13R1.2808 CC(=Cc1c(cc(cc1O)Cl)C)C 271570a_100102525489_100010254216 [0,2,0,0,0,0|2,0,0]=4 8253 B13R1.2808 CC(=Cc1c(cc(cc1O)O)O)C 271570a_100102525489_200010341185 [0,2,0,0,0,0|2,0,0]=4 8254 B13R1.2808 CC(=O)Cc1c(cc(cc1Br)F)F 1458a_100000070787_100015786123 [0,2,0,0,0,0|2,0,0]=4 8255 B13R1.2808 CC(=O)Cc1c(cc(cc1C)C)C 1458a_100000070787_100000749405 [0,2,0,0,0,0|2,0,0]=4 8256 B13R1.2808 CC(=O)Cc1c(cc(cc1C)C)C 1458a_100000696705_200000210301 [0,2,0,0,0,0|2,0,0]=4 8257 B13R1.2808 CC(=O)Cc1c(cc(cc1Cl)Cl)Cl 1458a_100000070787_100012339996 [0,2,0,0,0,0|2,0,0]=4 8258 B13R1.2808 CC(=O)Cc1c(cc(cc1F)Br)F 1458a_100000070787_100012355225 [0,2,0,0,0,0|2,0,0]=4 8259 B13R1.2808 CC(=O)Cc1c(cc(cc1F)Br)F 1458a_100009813797_200000210301 [0,2,0,0,0,0|2,0,0]=4 8260 B13R1.2808 CC(=O)Cc1c(cc(cc1F)Cl)F 1458a_100000070787_100009813723 [0,2,0,0,0,0|2,0,0]=4 8261 B13R1.2808 CC(=O)Cc1c(cc(cc1F)F)F 1458a_100000037057_200000210301 [0,2,0,0,0,0|2,0,0]=4 8262 B13R1.2808 CC(=O)Cc1c(cc(cc1F)F)F 1458a_100000070787_100011216150 [0,2,0,0,0,0|2,0,0]=4 8263 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Br)C 11a_100012047207_100015343762 [0,2,0,0,0,0|1,0,0]=3 8264 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Br)C 1626a_100012047207_100015343762 [0,2,0,0,0,0|1,0,0]=3 8265 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Br)F 1626a_100011215609_100015343762 [0,2,0,0,0,0|1,0,0]=3 8266 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)C 11a_100000688863_100015343762 [0,2,0,0,0,0|1,0,0]=3 8267 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)C 1626a_100000688863_100015343762 [0,2,0,0,0,0|1,0,0]=3 8268 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)Cl 1626a_100012339639_100015343762 [0,2,0,0,0,0|1,0,0]=3 8269 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)F 11a_100012353694_100015343762 [0,2,0,0,0,0|1,0,0]=3 8270 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)C)F 1626a_100012353694_100015343762 [0,2,0,0,0,0|1,0,0]=3 8271 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)C 11a_100012353696_100015343762 [0,2,0,0,0,0|1,0,0]=3 8272 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)C 1626a_100012353696_100015343762 [0,2,0,0,0,0|1,0,0]=3 8273 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)F 11a_100011217455_100015343762 [0,2,0,0,0,0|1,0,0]=3 8274 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)F 1626a_100011217455_100015343762 [0,2,0,0,0,0|1,0,0]=3 8275 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)Cl)O 527a_100015696055_100103153847 [0,2,0,0,0,0|0,0,0]=2 8276 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)F)Br 11a_100000211720_100015343762 [0,2,0,0,0,0|1,0,0]=3 8277 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)F)C 11a_100011216670_100015343762 [0,2,0,0,0,0|1,0,0]=3 8278 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)F)C 1626a_100011216670_100015343762 [0,2,0,0,0,0|1,0,0]=3 8279 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)F)Cl 1626a_100000694656_100015343762 [0,2,0,0,0,0|1,0,0]=3 8280 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)F)F 11a_100000211602_100015343762 [0,2,0,0,0,0|1,0,0]=3 8281 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)F)F 1626a_100000211602_100015343762 [0,2,0,0,0,0|1,0,0]=3 8282 B13R1.2808 CC(=O)Nc1c(cc(cc1Br)O)Br 527a_200010887395_100103153847 [0,2,0,0,0,0|1,0,0]=3 8283 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Br)C 11a_100000737279_100015343762 [0,2,0,0,0,0|1,0,0]=3 8284 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Br)C 1626a_100000737279_100015343762 [0,2,0,0,0,0|1,0,0]=3 8285 B13R1.2808 CC(=O)Nc1c(cc(cc1C)C)C 11a_100000210045_100015343762 [0,2,0,0,0,0|1,0,0]=3 8286 B13R1.2808 CC(=O)Nc1c(cc(cc1C)C)C 1626a_100000210045_100015343762 [0,2,0,0,0,0|1,0,0]=3 8287 B13R1.2808 CC(=O)Nc1c(cc(cc1C)C)C 22a_100000210045_100000070787 [0,2,0,0,0,0|1,0,0]=3 8288 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C 11a_100000692879_100015343762 [0,2,0,0,0,0|1,0,0]=3 8289 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C 1626a_100000692879_100015343762 [0,2,0,0,0,0|1,0,0]=3 8290 B13R1.2808 CC(=O)Nc1c(cc(cc1C)Cl)C 22a_100000692879_100000070787 [0,2,0,0,0,0|1,0,0]=3 8291 B13R1.2808 CC(=O)Nc1c(cc(cc1C)F)C 11a_100011290887_100015343762 [0,2,0,0,0,0|1,0,0]=3 8292 B13R1.2808 CC(=O)Nc1c(cc(cc1C)F)C 1626a_100011290887_100015343762 [0,2,0,0,0,0|1,0,0]=3 8293 B13R1.2808 CC(=O)Nc1c(cc(cc1C)F)C 22a_100011290887_100000070787 [0,2,0,0,0,0|1,0,0]=3 8294 B13R1.2808 CC(=O)Nc1c(cc(cc1C)I)C 11a_100011356821_100015343762 [0,2,0,0,0,0|1,0,0]=3 8295 B13R1.2808 CC(=O)Nc1c(cc(cc1C)I)C 1626a_100011356821_100015343762 [0,2,0,0,0,0|1,0,0]=3 8296 B13R1.2808 CC(=O)Nc1c(cc(cc1C)I)C 22a_100011356821_100000070787 [0,2,0,0,0,0|1,0,0]=3 8297 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 22a_100011934200_100000070787 [0,2,0,0,0,0|1,0,0]=3 8298 B13R1.2808 CC(=O)Nc1c(cc(cc1C)O)C 527a_100011934200_100103153847 [0,2,0,0,0,0|1,0,0]=3 8299 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Br)C 11a_100000741131_100015343762 [0,2,0,0,0,0|1,0,0]=3 8300 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Br)C 1626a_100000741131_100015343762 [0,2,0,0,0,0|1,0,0]=3 8301 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Br)F 11a_100000725741_100015343762 [0,2,0,0,0,0|1,0,0]=3 8302 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Br)F 1626a_100000725741_100015343762 [0,2,0,0,0,0|1,0,0]=3 8303 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)C 11a_100000211461_100015343762 [0,2,0,0,0,0|1,0,0]=3 8304 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)C 1626a_100000211461_100015343762 [0,2,0,0,0,0|1,0,0]=3 8305 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)Cl 1626a_100011996032_100015343762 [0,2,0,0,0,0|1,0,0]=3 8306 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)O 22a_100015906060_100000070787 [0,2,0,0,0,0|0,0,0]=2 8307 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)C)O 527a_100015906060_100103153847 [0,2,0,0,0,0|0,0,0]=2 8308 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Cl)C 11a_100011215104_100015343762 [0,2,0,0,0,0|1,0,0]=3 8309 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Cl)C 1626a_100011215104_100015343762 [0,2,0,0,0,0|1,0,0]=3 8310 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Cl)Cl 11a_100000210601_100015343762 [0,2,0,0,0,0|1,0,0]=3 8311 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Cl)Cl 1626a_100000210601_100015343762 [0,2,0,0,0,0|1,0,0]=3 8312 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Cl)F 11a_100000688862_100015343762 [0,2,0,0,0,0|1,0,0]=3 8313 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)Cl)F 1626a_100000688862_100015343762 [0,2,0,0,0,0|1,0,0]=3 8314 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)F)C 11a_100000725997_100015343762 [0,2,0,0,0,0|1,0,0]=3 8315 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)F)C 1626a_100000725997_100015343762 [0,2,0,0,0,0|1,0,0]=3 8316 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)F)Cl 1626a_100000688861_100015343762 [0,2,0,0,0,0|1,0,0]=3 8317 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)F)F 11a_100000688773_100015343762 [0,2,0,0,0,0|1,0,0]=3 8318 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)F)F 1626a_100000688773_100015343762 [0,2,0,0,0,0|1,0,0]=3 8319 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)C 11a_100000709789_100015343762 [0,2,0,0,0,0|1,0,0]=3 8320 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)C 1626a_100000709789_100015343762 [0,2,0,0,0,0|1,0,0]=3 8321 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)F 11a_100000758902_100015343762 [0,2,0,0,0,0|1,0,0]=3 8322 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)F 1626a_100000758902_100015343762 [0,2,0,0,0,0|1,0,0]=3 8323 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)O 22a_100015475841_100000070787 [0,2,0,0,0,0|0,0,0]=2 8324 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Br)O 527a_100015475841_100103153847 [0,2,0,0,0,0|0,0,0]=2 8325 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)C 11a_100012017672_100015343762 [0,2,0,0,0,0|1,0,0]=3 8326 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)C 1626a_100012017672_100015343762 [0,2,0,0,0,0|1,0,0]=3 8327 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)C 22a_100012017672_100000070787 [0,2,0,0,0,0|1,0,0]=3 8328 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)F 11a_100000695146_100015343762 [0,2,0,0,0,0|1,0,0]=3 8329 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)F 1626a_100000695146_100015343762 [0,2,0,0,0,0|1,0,0]=3 8330 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)O 22a_100010883250_100000070787 [0,2,0,0,0,0|0,0,0]=2 8331 B13R1.2808 CC(=O)Nc1c(cc(cc1F)Cl)O 527a_100010883250_100103153847 [0,2,0,0,0,0|0,0,0]=2 8332 B13R1.2808 CC(=O)Nc1c(cc(cc1F)F)F 11a_100000760425_100015343762 [0,2,0,0,0,0|1,0,0]=3 8333 B13R1.2808 CC(=O)Nc1c(cc(cc1F)F)F 1626a_100000760425_100015343762 [0,2,0,0,0,0|1,0,0]=3 8334 B13R1.2808 CC(=O)Nc1c(cc(cc1F)F)O 22a_100011217947_100000070787 [0,2,0,0,0,0|0,0,0]=2 8335 B13R1.2808 CC(=O)Nc1c(cc(cc1F)F)O 527a_100011217947_100103153847 [0,2,0,0,0,0|0,0,0]=2 8336 B13R1.2808 CC(=O)Nc1c(cc(cc1F)I)F 11a_100012353610_100015343762 [0,2,0,0,0,0|1,0,0]=3 8337 B13R1.2808 CC(=O)Nc1c(cc(cc1F)I)F 1626a_100012353610_100015343762 [0,2,0,0,0,0|1,0,0]=3 8338 B13R1.2808 CC(=O)Nc1c(cc(cc1F)O)F 1626a_100000036573_100015343762 [0,2,0,0,0,0|1,0,0]=3 8339 B13R1.2808 CC(=O)Nc1c(cc(cc1F)O)F 527a_100000036573_100103153847 [0,2,0,0,0,0|1,0,0]=3 8340 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Br)C 11a_200000690823_100015343762 [0,2,0,0,0,0|1,0,0]=3 8341 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Br)C 1626a_200000690823_100015343762 [0,2,0,0,0,0|1,0,0]=3 8342 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Br)F 1626a_100012970276_100015343762 [0,2,0,0,0,0|1,0,0]=3 8343 B13R1.2808 CC(=O)Nc1c(cc(cc1I)C)I 1626a_200015987959_100015343762 [0,2,0,0,0,0|1,0,0]=3 8344 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Cl)Br 1626a_200012970264_100015343762 [0,2,0,0,0,0|1,0,0]=3 8345 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Cl)C 11a_100012344046_100015343762 [0,2,0,0,0,0|1,0,0]=3 8346 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Cl)C 1626a_100012344046_100015343762 [0,2,0,0,0,0|1,0,0]=3 8347 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Cl)Cl 1626a_100011216899_100015343762 [0,2,0,0,0,0|1,0,0]=3 8348 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Cl)F 11a_100011214900_100015343762 [0,2,0,0,0,0|1,0,0]=3 8349 B13R1.2808 CC(=O)Nc1c(cc(cc1I)Cl)F 1626a_100011214900_100015343762 [0,2,0,0,0,0|1,0,0]=3 8350 B13R1.2808 CC(=O)Nc1c(cc(cc1I)F)F 11a_100102885649_100015343762 [0,2,0,0,0,0|1,0,0]=3 8351 B13R1.2808 CC(=O)Nc1c(cc(cc1I)F)F 1626a_100102885649_100015343762 [0,2,0,0,0,0|1,0,0]=3 8352 B13R1.2808 CC(=O)Nc1c(cc(cc1I)I)F 11a_200000054413_100015343762 [0,2,0,0,0,0|1,0,0]=3 8353 B13R1.2808 CC(=O)Nc1c(cc(cc1I)I)F 1626a_200000054413_100015343762 [0,2,0,0,0,0|1,0,0]=3 8354 B13R1.2808 CC(=O)Nc1c(cc(cc1I)I)I 1626a_100000009707_100015343762 [0,2,0,0,0,0|1,0,0]=3 8355 B13R1.2808 CC(=O)Nc1c(cc(cc1O)Br)C 22a_100010371313_100000070787 [0,2,0,0,0,0|0,0,0]=2 8356 B13R1.2808 CC(=O)Nc1c(cc(cc1O)Br)C 527a_100010371313_100103153847 [0,2,0,0,0,0|0,0,0]=2 8357 B13R1.2808 CC(=O)Oc1c(cc(cc1C)O)C 271570a_203496583355_200009816532 [0,2,0,0,0,0|2,0,0]=4 8358 B13R1.2808 CC(C)Nc1c(cc(cc1F)Br)O 34a_100015475841_100000210206 [0,2,0,0,0,0|1,0,1]=4 8359 B13R1.2808 CC(C)Nc1c(cc(cc1F)Cl)O 34a_100010883250_100000210206 [0,2,0,0,0,0|1,0,1]=4 8360 B13R1.2808 CC(C)Nc1c(cc(cc1F)Cl)O 7a_100010883250_100000210206 [0,2,0,0,0,0|1,0,1]=4 8361 B13R1.2808 CC(C)Nc1c(cc(cc1F)F)O 34a_100011217947_100000210206 [0,2,0,0,0,0|1,0,1]=4 8362 B13R1.2808 CC(C)Nc1c(cc(cc1F)F)O 7a_100011217947_100000210206 [0,2,0,0,0,0|1,0,1]=4 8363 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)[13CH3])C 1458a_100000696705_200025704644 [0,2,0,0,0,0|2,0,0]=4 8364 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(C)C)O 34a_100015906060_100000210206 [0,2,0,0,0,0|1,0,1]=4 8365 B13R1.2808 Cc1cc(cc(c1NC(C)C)O)Br 34a_100010371313_100000210206 [0,2,0,0,0,0|1,0,1]=4 8366 B13R1.2808 Cc1cc(cc(c1NC(C)C)O)Br 7a_100010371313_100000210206 [0,2,0,0,0,0|1,0,1]=4 8367 B13R1.2808 [13CH3]C(=O)Cc1c(cc(cc1F)Br)F 1458a_100009813797_200025704644 [0,2,0,0,0,0|2,0,0]=4 8368 B13R1.2808 [13CH3]C(=O)Cc1c(cc(cc1F)F)F 1458a_100000037057_200025704644 [0,2,0,0,0,0|2,0,0]=4 8369 B13R1.335 O=CC(C=O)Nc1ccccc1O 34a_100000185747_100000736813 [0,2,0,0,0,0|0,0,2]=4 8370 B13R1.470 C#CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000184674 [0,2,0,0,0,0|2,0,0]=4 8371 B13R1.470 C#CCC(=O)Cc1ccccc1Br 1458a_100011220946_100000184730 [0,2,0,0,0,0|2,0,0]=4 8372 B13R1.470 C#CCC(=O)Cc1ccccc1C 1458a_100000212180_100000184674 [0,2,0,0,0,0|2,0,0]=4 8373 B13R1.470 C#CCC(=O)Cc1ccccc1C 1458a_100011220946_100000211839 [0,2,0,0,0,0|2,0,0]=4 8374 B13R1.470 C#CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000184674 [0,2,0,0,0,0|2,0,0]=4 8375 B13R1.470 C#CCC(=O)Cc1ccccc1Cl 1458a_100011220946_100000187162 [0,2,0,0,0,0|2,0,0]=4 8376 B13R1.470 C#CCC(=O)Cc1ccccc1F 1458a_100000212012_100000184674 [0,2,0,0,0,0|2,0,0]=4 8377 B13R1.470 C#CCC(=O)Cc1ccccc1F 1458a_100011220946_100000187165 [0,2,0,0,0,0|2,0,0]=4 8378 B13R1.470 C#CCC(=O)Cc1ccccc1I 1458a_100000036491_100000184674 [0,2,0,0,0,0|2,0,0]=4 8379 B13R1.470 C#CCC(=O)Cc1ccccc1I 1458a_100011220946_100011216222 [0,2,0,0,0,0|2,0,0]=4 8380 B13R1.470 C#CCC(=O)Cc1ccccc1O 1458a_100000743006_100000184674 [0,2,0,0,0,0|1,0,0]=3 8381 B13R1.470 C#CCC(=O)Cc1ncccc1O 1458a_100011220946_200020655725 [0,2,0,0,0,0|2,0,0]=4 8382 B13R1.470 C#CCC(=O)Nc1ccccc1Br 1626a_100000210017_100011220946 [0,2,0,0,0,0|1,0,0]=3 8383 B13R1.470 C#CCC(=O)Nc1ccccc1C 1626a_100015192222_100011220946 [0,2,0,0,0,0|1,0,0]=3 8384 B13R1.470 C#CCC(=O)Nc1ccccc1C 527a_100015192222_100011220946 [0,2,0,0,0,0|1,0,0]=3 8385 B13R1.470 C#CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100011220946 [0,2,0,0,0,0|1,0,0]=3 8386 B13R1.470 C#CCC(=O)Nc1ccccc1Cl 527a_100000185783_100011220946 [0,2,0,0,0,0|1,0,0]=3 8387 B13R1.470 C#CCC(=O)Nc1ccccc1F 1626a_100000210422_100011220946 [0,2,0,0,0,0|1,0,0]=3 8388 B13R1.470 C#CCC(=O)Nc1ccccc1F 527a_100000210422_100011220946 [0,2,0,0,0,0|1,0,0]=3 8389 B13R1.470 C#CCC(=O)Nc1ccccc1I 1626a_100000210053_100011220946 [0,2,0,0,0,0|1,0,0]=3 8390 B13R1.470 C#CCC(=O)Nc1ccccc1O 527a_100000185747_100011220946 [0,2,0,0,0,0|0,0,0]=2 8391 B13R1.470 C=CCC(=O)Cc1ccccc1Br 1458a_100000210193_100000184730 [0,2,0,0,0,0|2,0,0]=4 8392 B13R1.470 C=CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210623 [0,2,0,0,0,0|2,0,0]=4 8393 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000210193_100000211839 [0,2,0,0,0,0|2,0,0]=4 8394 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210623 [0,2,0,0,0,0|2,0,0]=4 8395 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210623 [0,2,0,0,0,0|2,0,0]=4 8396 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000210193_100000187162 [0,2,0,0,0,0|2,0,0]=4 8397 B13R1.470 C=CCC(=O)Cc1ccccc1F 1458a_100000210193_100000187165 [0,2,0,0,0,0|2,0,0]=4 8398 B13R1.470 C=CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210623 [0,2,0,0,0,0|2,0,0]=4 8399 B13R1.470 C=CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210623 [0,2,0,0,0,0|2,0,0]=4 8400 B13R1.470 C=CCC(=O)Cc1ccccc1I 1458a_100000210193_100011216222 [0,2,0,0,0,0|2,0,0]=4 8401 B13R1.470 C=CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210623 [0,2,0,0,0,0|1,0,0]=3 8402 B13R1.470 C=CCC(=O)Cc1ncccc1O 1458a_100000210193_200020655725 [0,2,0,0,0,0|2,0,0]=4 8403 B13R1.470 C=CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210193 [0,2,0,0,0,0|1,0,0]=3 8404 B13R1.470 C=CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210193 [0,2,0,0,0,0|1,0,0]=3 8405 B13R1.470 C=CCC(=O)Nc1ccccc1C 11a_100015192222_100000210193 [0,2,0,0,0,0|1,0,0]=3 8406 B13R1.470 C=CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210193 [0,2,0,0,0,0|1,0,0]=3 8407 B13R1.470 C=CCC(=O)Nc1ccccc1C 22a_100015192222_100000210193 [0,2,0,0,0,0|1,0,0]=3 8408 B13R1.470 C=CCC(=O)Nc1ccccc1C 527a_100015192222_100000210193 [0,2,0,0,0,0|1,0,0]=3 8409 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210193 [0,2,0,0,0,0|1,0,0]=3 8410 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210193 [0,2,0,0,0,0|1,0,0]=3 8411 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210193 [0,2,0,0,0,0|1,0,0]=3 8412 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210193 [0,2,0,0,0,0|1,0,0]=3 8413 B13R1.470 C=CCC(=O)Nc1ccccc1F 11a_100000210422_100000210193 [0,2,0,0,0,0|1,0,0]=3 8414 B13R1.470 C=CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210193 [0,2,0,0,0,0|1,0,0]=3 8415 B13R1.470 C=CCC(=O)Nc1ccccc1F 22a_100000210422_100000210193 [0,2,0,0,0,0|1,0,0]=3 8416 B13R1.470 C=CCC(=O)Nc1ccccc1F 527a_100000210422_100000210193 [0,2,0,0,0,0|1,0,0]=3 8417 B13R1.470 C=CCC(=O)Nc1ccccc1I 11a_100000210053_100000210193 [0,2,0,0,0,0|1,0,0]=3 8418 B13R1.470 C=CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210193 [0,2,0,0,0,0|1,0,0]=3 8419 B13R1.470 C=CCC(=O)Nc1ccccc1O 22a_100000185747_100000210193 [0,2,0,0,0,0|0,0,0]=2 8420 B13R1.470 C=CCC(=O)Nc1ccccc1O 527a_100000185747_100000210193 [0,2,0,0,0,0|0,0,0]=2 8421 B13R1.470 CC#CC(=O)Cc1ccccc1Br 1458a_100000763181_100000184730 [0,2,0,0,0,0|2,0,0]=4 8422 B13R1.470 CC#CC(=O)Cc1ccccc1C 1458a_100000763181_100000211839 [0,2,0,0,0,0|2,0,0]=4 8423 B13R1.470 CC#CC(=O)Cc1ccccc1Cl 1458a_100000763181_100000187162 [0,2,0,0,0,0|2,0,0]=4 8424 B13R1.470 CC#CC(=O)Cc1ccccc1F 1458a_100000763181_100000187165 [0,2,0,0,0,0|2,0,0]=4 8425 B13R1.470 CC#CC(=O)Cc1ccccc1I 1458a_100000763181_100011216222 [0,2,0,0,0,0|2,0,0]=4 8426 B13R1.470 CC#CC(=O)Cc1ncccc1O 1458a_100000763181_200020655725 [0,2,0,0,0,0|2,0,0]=4 8427 B13R1.470 CC#CC(=O)Nc1ccccc1C 22a_100015192222_100000763181 [0,2,0,0,0,0|1,0,0]=3 8428 B13R1.470 CC#CC(=O)Nc1ccccc1Cl 22a_100000185783_100000763181 [0,2,0,0,0,0|1,0,0]=3 8429 B13R1.470 CC#CC(=O)Nc1ccccc1F 22a_100000210422_100000763181 [0,2,0,0,0,0|1,0,0]=3 8430 B13R1.470 CC#CC(=O)Nc1ccccc1O 22a_100000185747_100000763181 [0,2,0,0,0,0|0,0,0]=2 8431 B13R1.470 CC(CCO)Nc1ccccc1O 34a_100000185747_100009893172 [0,2,0,0,0,0|0,0,2]=4 8432 B13R1.470 CC=CC(=O)Cc1ccccc1Br 1458a_100000210699_100000184730 [0,2,0,0,0,0|2,0,0]=4 8433 B13R1.470 CC=CC(=O)Cc1ccccc1C 1458a_100000210699_100000211839 [0,2,0,0,0,0|2,0,0]=4 8434 B13R1.470 CC=CC(=O)Cc1ccccc1Cl 1458a_100000210699_100000187162 [0,2,0,0,0,0|2,0,0]=4 8435 B13R1.470 CC=CC(=O)Cc1ccccc1F 1458a_100000210699_100000187165 [0,2,0,0,0,0|2,0,0]=4 8436 B13R1.470 CC=CC(=O)Cc1ccccc1I 1458a_100000210699_100011216222 [0,2,0,0,0,0|2,0,0]=4 8437 B13R1.470 CC=CC(=O)Cc1ncccc1O 1458a_100000210699_200020655725 [0,2,0,0,0,0|2,0,0]=4 8438 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,2,0,0,0,0|1,0,0]=3 8439 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,2,0,0,0,0|1,0,0]=3 8440 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,2,0,0,0,0|1,0,0]=3 8441 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,2,0,0,0,0|1,0,0]=3 8442 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,2,0,0,0,0|1,0,0]=3 8443 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,2,0,0,0,0|1,0,0]=3 8444 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,2,0,0,0,0|1,0,0]=3 8445 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,2,0,0,0,0|1,0,0]=3 8446 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,2,0,0,0,0|1,0,0]=3 8447 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,2,0,0,0,0|1,0,0]=3 8448 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,2,0,0,0,0|1,0,0]=3 8449 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,2,0,0,0,0|1,0,0]=3 8450 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,2,0,0,0,0|1,0,0]=3 8451 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,2,0,0,0,0|0,0,0]=2 8452 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,2,0,0,0,0|2,0,0]=4 8453 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,2,0,0,0,0|2,0,0]=4 8454 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,2,0,0,0,0|2,0,0]=4 8455 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,2,0,0,0,0|2,0,0]=4 8456 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,2,0,0,0,0|2,0,0]=4 8457 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,2,0,0,0,0|2,0,0]=4 8458 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,2,0,0,0,0|2,0,0]=4 8459 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,2,0,0,0,0|2,0,0]=4 8460 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,2,0,0,0,0|2,0,0]=4 8461 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,2,0,0,0,0|2,0,0]=4 8462 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,2,0,0,0,0|1,0,0]=3 8463 B13R1.470 CCCC(=O)Cc1ncccc1O 1458a_100000211992_200020655725 [0,2,0,0,0,0|2,0,0]=4 8464 B13R1.470 CCCC(=O)Nc1ccccc1Br 11a_100000210017_100000211992 [0,2,0,0,0,0|1,0,0]=3 8465 B13R1.470 CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000211992 [0,2,0,0,0,0|1,0,0]=3 8466 B13R1.470 CCCC(=O)Nc1ccccc1C 11a_100015192222_100000211992 [0,2,0,0,0,0|1,0,0]=3 8467 B13R1.470 CCCC(=O)Nc1ccccc1C 1626a_100015192222_100000211992 [0,2,0,0,0,0|1,0,0]=3 8468 B13R1.470 CCCC(=O)Nc1ccccc1C 22a_100015192222_100000211992 [0,2,0,0,0,0|1,0,0]=3 8469 B13R1.470 CCCC(=O)Nc1ccccc1C 527a_100015192222_100000211992 [0,2,0,0,0,0|1,0,0]=3 8470 B13R1.470 CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211992 [0,2,0,0,0,0|1,0,0]=3 8471 B13R1.470 CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211992 [0,2,0,0,0,0|1,0,0]=3 8472 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211992 [0,2,0,0,0,0|1,0,0]=3 8473 B13R1.470 CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211992 [0,2,0,0,0,0|1,0,0]=3 8474 B13R1.470 CCCC(=O)Nc1ccccc1F 11a_100000210422_100000211992 [0,2,0,0,0,0|1,0,0]=3 8475 B13R1.470 CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000211992 [0,2,0,0,0,0|1,0,0]=3 8476 B13R1.470 CCCC(=O)Nc1ccccc1F 22a_100000210422_100000211992 [0,2,0,0,0,0|1,0,0]=3 8477 B13R1.470 CCCC(=O)Nc1ccccc1F 527a_100000210422_100000211992 [0,2,0,0,0,0|1,0,0]=3 8478 B13R1.470 CCCC(=O)Nc1ccccc1I 11a_100000210053_100000211992 [0,2,0,0,0,0|1,0,0]=3 8479 B13R1.470 CCCC(=O)Nc1ccccc1I 1626a_100000210053_100000211992 [0,2,0,0,0,0|1,0,0]=3 8480 B13R1.470 CCCC(=O)Nc1ccccc1O 22a_100000185747_100000211992 [0,2,0,0,0,0|0,0,0]=2 8481 B13R1.470 CCCC(=O)Nc1ccccc1O 271570a_203496583355_100000153530 [0,2,0,0,0,0|0,0,0]=2 8482 B13R1.470 CCCC(=O)Nc1ccccc1O 527a_100000185747_100000211992 [0,2,0,0,0,0|0,0,0]=2 8483 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,2,0,0,0,0|1,0,1]=4 8484 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,2,0,0,0,0|2,0,0]=4 8485 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,2,0,0,0,0|2,0,0]=4 8486 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,2,0,0,0,0|2,0,0]=4 8487 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,2,0,0,0,0|2,0,0]=4 8488 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,2,0,0,0,0|2,0,0]=4 8489 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,2,0,0,0,0|2,0,0]=4 8490 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,2,0,0,0,0|2,0,0]=4 8491 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,2,0,0,0,0|2,0,0]=4 8492 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,2,0,0,0,0|2,0,0]=4 8493 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,2,0,0,0,0|2,0,0]=4 8494 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,2,0,0,0,0|2,0,0]=4 8495 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,2,0,0,0,0|2,0,0]=4 8496 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,2,0,0,0,0|2,0,0]=4 8497 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,2,0,0,0,0|2,0,0]=4 8498 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,2,0,0,0,0|2,0,0]=4 8499 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,2,0,0,0,0|1,0,0]=3 8500 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,2,0,0,0,0|1,0,0]=3 8501 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,2,0,0,0,0|1,0,0]=3 8502 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,2,0,0,0,0|1,0,0]=3 8503 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,2,0,0,0,0|1,0,0]=3 8504 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,2,0,0,0,0|1,0,0]=3 8505 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,2,0,0,0,0|1,0,0]=3 8506 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,2,0,0,0,0|1,0,0]=3 8507 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,2,0,0,0,0|0,0,0]=2 8508 B13R1.470 CCOC(=O)Cc1ccccc1O 271570a_203496583355_100011218996 [0,2,0,0,0,0|1,0,0]=3 8509 B13R1.470 CCOC(=O)Cc1cccnc1O 271570a_203496583355_100009886914 [0,2,0,0,0,0|2,0,0]=4 8510 B13R1.470 CCOC(=O)Cc1ccncc1O 271570a_203496583355_100010089795 [0,2,0,0,0,0|2,0,0]=4 8511 B13R1.470 CCOC(=O)Cc1ncccc1O 271570a_203496583355_100016306959 [0,2,0,0,0,0|2,0,0]=4 8512 B13R1.470 CN(CC=O)Cc1ccccc1O 2230a_100015189988_200015260668 [0,2,0,0,0,0|2,0,0]=4 8513 B13R1.470 CN(CC=O)Cc1ccccc1O 269982a_100015189988_200015260668 [0,2,0,0,0,0|2,0,0]=4 8514 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,2,0,0,0,0|2,0,0]=4 8515 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,2,0,0,0,0|2,0,0]=4 8516 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,2,0,0,0,0|2,0,0]=4 8517 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,2,0,0,0,0|2,0,0]=4 8518 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,2,0,0,0,0|2,0,0]=4 8519 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,2,0,0,0,0|1,0,0]=3 8520 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,2,0,0,0,0|1,0,0]=3 8521 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,2,0,0,0,0|1,0,0]=3 8522 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,2,0,0,0,0|1,0,0]=3 8523 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,2,0,0,0,0|1,0,0]=3 8524 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,2,0,0,0,0|1,0,0]=3 8525 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,2,0,0,0,0|1,0,0]=3 8526 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,2,0,0,0,0|1,0,0]=3 8527 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,2,0,0,0,0|1,0,0]=3 8528 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,2,0,0,0,0|1,0,0]=3 8529 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,2,0,0,0,0|1,0,0]=3 8530 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,2,0,0,0,0|1,0,0]=3 8531 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,2,0,0,0,0|1,0,0]=3 8532 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,2,0,0,0,0|1,0,0]=3 8533 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,2,0,0,0,0|1,0,0]=3 8534 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,2,0,0,0,0|1,0,0]=3 8535 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,2,0,0,0,0|0,0,0]=2 8536 B13R1.470 CNNC(=O)Cc1ccccc1Br 22a_100016993582_100000751119 [0,2,0,0,0,0|2,0,0]=4 8537 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,2,0,0,0,0|2,0,0]=4 8538 B13R1.470 CNNC(=O)Cc1ccccc1Cl 22a_100016993582_100000183793 [0,2,0,0,0,0|2,0,0]=4 8539 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,2,0,0,0,0|2,0,0]=4 8540 B13R1.470 CNNC(=O)Cc1ccccc1I 22a_100016993582_100000036491 [0,2,0,0,0,0|2,0,0]=4 8541 B13R1.470 CNNC(=O)Cc1ccccc1O 22a_100016993582_100000743006 [0,2,0,0,0,0|1,0,0]=3 8542 B13R1.470 COCC(=O)Cc1ccccc1Br 1458a_100000210968_100000184730 [0,2,0,0,0,0|2,0,0]=4 8543 B13R1.470 COCC(=O)Cc1ccccc1Br 34a_100138415774_100000700504 [0,2,0,0,0,0|2,0,0]=4 8544 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,2,0,0,0,0|2,0,0]=4 8545 B13R1.470 COCC(=O)Cc1ccccc1Cl 1458a_100000210968_100000187162 [0,2,0,0,0,0|2,0,0]=4 8546 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,2,0,0,0,0|2,0,0]=4 8547 B13R1.470 COCC(=O)Cc1ccccc1I 1458a_100000210968_100011216222 [0,2,0,0,0,0|2,0,0]=4 8548 B13R1.470 COCC(=O)Cc1ncccc1O 1458a_100000210968_200020655725 [0,2,0,0,0,0|2,0,0]=4 8549 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,2,0,0,0,0|1,0,0]=3 8550 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,2,0,0,0,0|1,0,0]=3 8551 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 8552 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 8553 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 8554 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,2,0,0,0,0|1,0,0]=3 8555 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,2,0,0,0,0|1,0,0]=3 8556 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 8557 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 8558 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 8559 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,2,0,0,0,0|1,0,0]=3 8560 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,2,0,0,0,0|1,0,0]=3 8561 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 8562 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 8563 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 8564 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,2,0,0,0,0|1,0,0]=3 8565 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,2,0,0,0,0|1,0,0]=3 8566 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,2,0,0,0,0|1,0,0]=3 8567 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,2,0,0,0,0|1,0,0]=3 8568 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,2,0,0,0,0|1,0,0]=3 8569 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,2,0,0,0,0|0,0,0]=2 8570 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,2,0,0,0,0|0,0,0]=2 8571 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,2,0,0,0,0|0,0,0]=2 8572 B13R1.470 COCC(C)Nc1ccccc1O 34a_100000185747_100000765312 [0,2,0,0,0,0|0,0,2]=4 8573 B13R1.470 CSCC(=O)Cc1ccccc1Br 1458a_100000184570_100000184730 [0,2,0,0,0,0|2,0,0]=4 8574 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_100000700504_200000210301 [0,2,0,0,0,0|2,0,0]=4 8575 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_200000210301_100000700504 [0,2,0,0,0,0|2,0,0]=4 8576 B13R1.470 CSCC(=O)Cc1ccccc1C 1458a_100000184570_100000211839 [0,2,0,0,0,0|2,0,0]=4 8577 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_100011223134_200000210301 [0,2,0,0,0,0|2,0,0]=4 8578 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_200000210301_100011223134 [0,2,0,0,0,0|2,0,0]=4 8579 B13R1.470 CSCC(=O)Cc1ccccc1Cl 1458a_100000184570_100000187162 [0,2,0,0,0,0|2,0,0]=4 8580 B13R1.470 CSCC(=O)Cc1ccccc1F 1458a_100000184570_100000187165 [0,2,0,0,0,0|2,0,0]=4 8581 B13R1.470 CSCC(=O)Cc1ccccc1I 1458a_100000184570_100011216222 [0,2,0,0,0,0|2,0,0]=4 8582 B13R1.470 CSCC(=O)Cc1ncccc1O 1458a_100000184570_200020655725 [0,2,0,0,0,0|2,0,0]=4 8583 B13R1.470 CSCC(=O)Nc1ccccc1Br 11a_100000210017_100000184570 [0,2,0,0,0,0|1,0,0]=3 8584 B13R1.470 CSCC(=O)Nc1ccccc1Br 1626a_100000210017_100000184570 [0,2,0,0,0,0|1,0,0]=3 8585 B13R1.470 CSCC(=O)Nc1ccccc1Br 62a_100000182372_200000210301 [0,2,0,0,0,0|1,0,0]=3 8586 B13R1.470 CSCC(=O)Nc1ccccc1Br 62a_200000210301_100000182372 [0,2,0,0,0,0|1,0,0]=3 8587 B13R1.470 CSCC(=O)Nc1ccccc1C 11a_100015192222_100000184570 [0,2,0,0,0,0|1,0,0]=3 8588 B13R1.470 CSCC(=O)Nc1ccccc1C 1626a_100015192222_100000184570 [0,2,0,0,0,0|1,0,0]=3 8589 B13R1.470 CSCC(=O)Nc1ccccc1C 22a_100015192222_100000184570 [0,2,0,0,0,0|1,0,0]=3 8590 B13R1.470 CSCC(=O)Nc1ccccc1C 527a_100015192222_100000184570 [0,2,0,0,0,0|1,0,0]=3 8591 B13R1.470 CSCC(=O)Nc1ccccc1C 62a_200000210301_100000183529 [0,2,0,0,0,0|1,0,0]=3 8592 B13R1.470 CSCC(=O)Nc1ccccc1Cl 11a_100000185783_100000184570 [0,2,0,0,0,0|1,0,0]=3 8593 B13R1.470 CSCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000184570 [0,2,0,0,0,0|1,0,0]=3 8594 B13R1.470 CSCC(=O)Nc1ccccc1Cl 22a_100000185783_100000184570 [0,2,0,0,0,0|1,0,0]=3 8595 B13R1.470 CSCC(=O)Nc1ccccc1Cl 527a_100000185783_100000184570 [0,2,0,0,0,0|1,0,0]=3 8596 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200000210301_100000182448 [0,2,0,0,0,0|1,0,0]=3 8597 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200011202291_200000210301 [0,2,0,0,0,0|1,0,0]=3 8598 B13R1.470 CSCC(=O)Nc1ccccc1F 11a_100000210422_100000184570 [0,2,0,0,0,0|1,0,0]=3 8599 B13R1.470 CSCC(=O)Nc1ccccc1F 1626a_100000210422_100000184570 [0,2,0,0,0,0|1,0,0]=3 8600 B13R1.470 CSCC(=O)Nc1ccccc1F 22a_100000210422_100000184570 [0,2,0,0,0,0|1,0,0]=3 8601 B13R1.470 CSCC(=O)Nc1ccccc1F 527a_100000210422_100000184570 [0,2,0,0,0,0|1,0,0]=3 8602 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_100000182988_200000210301 [0,2,0,0,0,0|1,0,0]=3 8603 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_200000210301_100000182988 [0,2,0,0,0,0|1,0,0]=3 8604 B13R1.470 CSCC(=O)Nc1ccccc1I 11a_100000210053_100000184570 [0,2,0,0,0,0|1,0,0]=3 8605 B13R1.470 CSCC(=O)Nc1ccccc1I 1626a_100000210053_100000184570 [0,2,0,0,0,0|1,0,0]=3 8606 B13R1.470 CSCC(=O)Nc1ccccc1I 62a_100000180142_200000210301 [0,2,0,0,0,0|1,0,0]=3 8607 B13R1.470 CSCC(=O)Nc1ccccc1I 62a_200000210301_100000180142 [0,2,0,0,0,0|1,0,0]=3 8608 B13R1.470 CSCC(=O)Nc1ccccc1O 22a_100000185747_100000184570 [0,2,0,0,0,0|0,0,0]=2 8609 B13R1.470 CSCC(=O)Nc1ccccc1O 527a_100000185747_100000184570 [0,2,0,0,0,0|0,0,0]=2 8610 B13R1.470 CSCC(=O)Nc1ccccc1O 62a_200000210301_100000014494 [0,2,0,0,0,0|0,0,0]=2 8611 B13R1.470 Cc1ccccc1CC(=O)CC#N 1458a_100000212180_100011214920 [0,2,0,0,0,0|2,0,0]=4 8612 B13R1.470 Cc1ccccc1CC(=O)CC#N 1458a_100051588842_100000211839 [0,2,0,0,0,0|2,0,0]=4 8613 B13R1.470 Cc1ccccc1CC(=O)CCF 1458a_100000212180_100011217306 [0,2,0,0,0,0|2,0,0]=4 8614 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,2,0,0,0,0|2,0,0]=4 8615 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,2,0,0,0,0|2,0,0]=4 8616 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_100011223134_200025704644 [0,2,0,0,0,0|2,0,0]=4 8617 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_200025704644_100011223134 [0,2,0,0,0,0|2,0,0]=4 8618 B13R1.470 Cc1ccccc1NC(=O)C=CBr 1626a_100015192222_100016273825 [0,2,0,0,0,0|1,0,1]=4 8619 B13R1.470 Cc1ccccc1NC(=O)C=CCl 11a_100015192222_200016279998 [0,2,0,0,0,0|1,0,1]=4 8620 B13R1.470 Cc1ccccc1NC(=O)C=CCl 1626a_100015192222_200016279998 [0,2,0,0,0,0|1,0,1]=4 8621 B13R1.470 Cc1ccccc1NC(=O)C=CI 1626a_100015192222_100016256311 [0,2,0,0,0,0|1,0,1]=4 8622 B13R1.470 Cc1ccccc1NC(=O)CC#N 1626a_100015192222_100051588842 [0,2,0,0,0,0|1,0,0]=3 8623 B13R1.470 Cc1ccccc1NC(=O)CC#N 22a_100015192222_100051588842 [0,2,0,0,0,0|1,0,0]=3 8624 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,2,0,0,0,0|1,0,0]=3 8625 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,2,0,0,0,0|1,0,0]=3 8626 B13R1.470 Cc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000183529 [0,2,0,0,0,0|1,0,0]=3 8627 B13R1.470 N#CCC(=O)Cc1ccccc1Br 1458a_100000751119_100011214920 [0,2,0,0,0,0|2,0,0]=4 8628 B13R1.470 N#CCC(=O)Cc1ccccc1Br 1458a_100051588842_100000184730 [0,2,0,0,0,0|2,0,0]=4 8629 B13R1.470 N#CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100011214920 [0,2,0,0,0,0|2,0,0]=4 8630 B13R1.470 N#CCC(=O)Cc1ccccc1Cl 1458a_100051588842_100000187162 [0,2,0,0,0,0|2,0,0]=4 8631 B13R1.470 N#CCC(=O)Cc1ccccc1F 1458a_100000212012_100011214920 [0,2,0,0,0,0|2,0,0]=4 8632 B13R1.470 N#CCC(=O)Cc1ccccc1F 1458a_100051588842_100000187165 [0,2,0,0,0,0|2,0,0]=4 8633 B13R1.470 N#CCC(=O)Cc1ccccc1I 1458a_100000036491_100011214920 [0,2,0,0,0,0|2,0,0]=4 8634 B13R1.470 N#CCC(=O)Cc1ccccc1I 1458a_100051588842_100011216222 [0,2,0,0,0,0|2,0,0]=4 8635 B13R1.470 N#CCC(=O)Cc1ccccc1O 1458a_100000743006_100011214920 [0,2,0,0,0,0|1,0,0]=3 8636 B13R1.470 N#CCC(=O)Cc1ncccc1O 1458a_100051588842_200020655725 [0,2,0,0,0,0|2,0,0]=4 8637 B13R1.470 N#CCC(=O)Nc1ccccc1Br 1626a_100000210017_100051588842 [0,2,0,0,0,0|1,0,0]=3 8638 B13R1.470 N#CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100051588842 [0,2,0,0,0,0|1,0,0]=3 8639 B13R1.470 N#CCC(=O)Nc1ccccc1Cl 22a_100000185783_100051588842 [0,2,0,0,0,0|1,0,0]=3 8640 B13R1.470 N#CCC(=O)Nc1ccccc1F 1626a_100000210422_100051588842 [0,2,0,0,0,0|1,0,0]=3 8641 B13R1.470 N#CCC(=O)Nc1ccccc1F 22a_100000210422_100051588842 [0,2,0,0,0,0|1,0,0]=3 8642 B13R1.470 N#CCC(=O)Nc1ccccc1I 1626a_100000210053_100051588842 [0,2,0,0,0,0|1,0,0]=3 8643 B13R1.470 N#CCC(=O)Nc1ccccc1O 22a_100000185747_100051588842 [0,2,0,0,0,0|0,0,0]=2 8644 B13R1.470 O=C(C=CBr)Nc1ccccc1Br 1626a_100000210017_100016273825 [0,2,0,0,0,0|1,0,1]=4 8645 B13R1.470 O=C(C=CBr)Nc1ccccc1Cl 1626a_100000185783_100016273825 [0,2,0,0,0,0|1,0,1]=4 8646 B13R1.470 O=C(C=CBr)Nc1ccccc1F 1626a_100000210422_100016273825 [0,2,0,0,0,0|1,0,1]=4 8647 B13R1.470 O=C(C=CBr)Nc1ccccc1I 1626a_100000210053_100016273825 [0,2,0,0,0,0|1,0,1]=4 8648 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 11a_100000210017_200016279998 [0,2,0,0,0,0|1,0,1]=4 8649 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 1626a_100000210017_200016279998 [0,2,0,0,0,0|1,0,1]=4 8650 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 11a_100000185783_200016279998 [0,2,0,0,0,0|1,0,1]=4 8651 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 1626a_100000185783_200016279998 [0,2,0,0,0,0|1,0,1]=4 8652 B13R1.470 O=C(C=CCl)Nc1ccccc1F 11a_100000210422_200016279998 [0,2,0,0,0,0|1,0,1]=4 8653 B13R1.470 O=C(C=CCl)Nc1ccccc1F 1626a_100000210422_200016279998 [0,2,0,0,0,0|1,0,1]=4 8654 B13R1.470 O=C(C=CCl)Nc1ccccc1I 11a_100000210053_200016279998 [0,2,0,0,0,0|1,0,1]=4 8655 B13R1.470 O=C(C=CCl)Nc1ccccc1I 1626a_100000210053_200016279998 [0,2,0,0,0,0|1,0,1]=4 8656 B13R1.470 O=C(C=CI)Nc1ccccc1Br 1626a_100000210017_100016256311 [0,2,0,0,0,0|1,0,1]=4 8657 B13R1.470 O=C(C=CI)Nc1ccccc1Cl 1626a_100000185783_100016256311 [0,2,0,0,0,0|1,0,1]=4 8658 B13R1.470 O=C(C=CI)Nc1ccccc1F 1626a_100000210422_100016256311 [0,2,0,0,0,0|1,0,1]=4 8659 B13R1.470 O=C(C=CI)Nc1ccccc1I 1626a_100000210053_100016256311 [0,2,0,0,0,0|1,0,1]=4 8660 B13R1.470 O=C(CCF)Cc1ccccc1Br 1458a_100000751119_100011217306 [0,2,0,0,0,0|2,0,0]=4 8661 B13R1.470 O=C(CCF)Cc1ccccc1Cl 1458a_100000183793_100011217306 [0,2,0,0,0,0|2,0,0]=4 8662 B13R1.470 O=C(CCF)Cc1ccccc1F 1458a_100000212012_100011217306 [0,2,0,0,0,0|2,0,0]=4 8663 B13R1.470 O=C(CCF)Cc1ccccc1I 1458a_100000036491_100011217306 [0,2,0,0,0,0|2,0,0]=4 8664 B13R1.470 O=C(CCF)Cc1ccccc1O 1458a_100000743006_100011217306 [0,2,0,0,0,0|1,0,0]=3 8665 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100000751119_100000211926 [0,2,0,0,0,0|2,0,0]=4 8666 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100011216618_100000184730 [0,2,0,0,0,0|2,0,0]=4 8667 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,2,0,0,0,0|2,0,0]=4 8668 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,2,0,0,0,0|2,0,0]=4 8669 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,2,0,0,0,0|2,0,0]=4 8670 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,2,0,0,0,0|2,0,0]=4 8671 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100000036491_100000211926 [0,2,0,0,0,0|2,0,0]=4 8672 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100011216618_100011216222 [0,2,0,0,0,0|2,0,0]=4 8673 B13R1.470 O=C(CCO)Cc1ccccc1O 1458a_100000743006_100000211926 [0,2,0,0,0,0|1,0,0]=3 8674 B13R1.470 O=C(CCO)Cc1ncccc1O 1458a_100011216618_200020655725 [0,2,0,0,0,0|2,0,0]=4 8675 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,2,0,0,0,0|1,0,0]=3 8676 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,2,0,0,0,0|1,0,0]=3 8677 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,2,0,0,0,0|0,0,0]=2 8678 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,2,0,0,0,0|1,0,0]=3 8679 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_100000700504_200025704644 [0,2,0,0,0,0|2,0,0]=4 8680 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_200025704644_100000700504 [0,2,0,0,0,0|2,0,0]=4 8681 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Br 62a_100000182372_200025704644 [0,2,0,0,0,0|1,0,0]=3 8682 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Br 62a_200025704644_100000182372 [0,2,0,0,0,0|1,0,0]=3 8683 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200011202291_200025704644 [0,2,0,0,0,0|1,0,0]=3 8684 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200025704644_100000182448 [0,2,0,0,0,0|1,0,0]=3 8685 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_100000182988_200025704644 [0,2,0,0,0,0|1,0,0]=3 8686 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_200025704644_100000182988 [0,2,0,0,0,0|1,0,0]=3 8687 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1I 62a_100000180142_200025704644 [0,2,0,0,0,0|1,0,0]=3 8688 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1I 62a_200025704644_100000180142 [0,2,0,0,0,0|1,0,0]=3 8689 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1O 62a_200025704644_100000014494 [0,2,0,0,0,0|0,0,0]=2 8690 B13R1.4928 C#CC(C)Nc1c(cccc1Br)O 34a_100011934926_200000035995 [0,2,0,0,0,0|1,0,1]=4 8691 B13R1.4928 C#CC(C)Nc1c(cccc1Cl)O 34a_100012022510_200000035995 [0,2,0,0,0,0|1,0,1]=4 8692 B13R1.4928 C#CC(C)Nc1c(cccc1F)O 34a_100020591140_200000035995 [0,2,0,0,0,0|1,0,1]=4 8693 B13R1.4928 C#CC(C)Nc1c(cccc1O)C 34a_100000743429_200000035995 [0,2,0,0,0,0|1,0,1]=4 8694 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100000185746 [0,2,0,0,0,0|1,0,1]=4 8695 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100000185746 [0,2,0,0,0,0|1,0,1]=4 8696 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100000185746 [0,2,0,0,0,0|1,0,1]=4 8697 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100000185746 [0,2,0,0,0,0|1,0,1]=4 8698 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000185746 [0,2,0,0,0,0|1,0,1]=4 8699 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000185746 [0,2,0,0,0,0|1,0,1]=4 8700 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000185746 [0,2,0,0,0,0|1,0,1]=4 8701 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000185746 [0,2,0,0,0,0|1,0,1]=4 8702 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000185746 [0,2,0,0,0,0|1,0,1]=4 8703 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000185746 [0,2,0,0,0,0|0,0,1]=3 8704 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000185746 [0,2,0,0,0,0|1,0,1]=4 8705 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000185746 [0,2,0,0,0,0|1,0,1]=4 8706 B13R1.4928 C=CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100000185746 [0,2,0,0,0,0|1,0,1]=4 8707 B13R1.4928 C=CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000185746 [0,2,0,0,0,0|0,0,1]=3 8708 B13R1.4928 C=CC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100000185746 [0,2,0,0,0,0|1,0,1]=4 8709 B13R1.4928 C=CC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100000185746 [0,2,0,0,0,0|1,0,1]=4 8710 B13R1.4928 C=CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100000185746 [0,2,0,0,0,0|1,0,1]=4 8711 B13R1.4928 C=CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000185746 [0,2,0,0,0,0|0,0,1]=3 8712 B13R1.4928 C=CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000185746 [0,2,0,0,0,0|0,0,1]=3 8713 B13R1.4928 C=CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000185746 [0,2,0,0,0,0|0,0,1]=3 8714 B13R1.4928 CC(CO)Nc1c(cccc1Br)O 34a_100011934926_100012180447 [0,2,0,0,0,0|0,0,2]=4 8715 B13R1.4928 CC(CO)Nc1c(cccc1Cl)O 34a_100012022510_100012180447 [0,2,0,0,0,0|0,0,2]=4 8716 B13R1.4928 CC(CO)Nc1c(cccc1F)O 34a_100020591140_100012180447 [0,2,0,0,0,0|0,0,2]=4 8717 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_100000210202 [0,2,0,0,0,0|2,0,0]=4 8718 B13R1.4928 CCC(=O)Cc1c(cccc1Br)C 1458a_100000210414_100010146847 [0,2,0,0,0,0|2,0,0]=4 8719 B13R1.4928 CCC(=O)Cc1c(cccc1Br)C 1458a_100010147022_100000210202 [0,2,0,0,0,0|2,0,0]=4 8720 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Cl 1458a_100000210414_100010138402 [0,2,0,0,0,0|2,0,0]=4 8721 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_100000210202 [0,2,0,0,0,0|2,0,0]=4 8722 B13R1.4928 CCC(=O)Cc1c(cccc1Br)F 1458a_100000210414_100000696636 [0,2,0,0,0,0|2,0,0]=4 8723 B13R1.4928 CCC(=O)Cc1c(cccc1Br)F 1458a_100010172741_100000210202 [0,2,0,0,0,0|2,0,0]=4 8724 B13R1.4928 CCC(=O)Cc1c(cccc1C)C 1458a_100000210414_100000758300 [0,2,0,0,0,0|2,0,0]=4 8725 B13R1.4928 CCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000210202 [0,2,0,0,0,0|2,0,0]=4 8726 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000210414_100000187851 [0,2,0,0,0,0|2,0,0]=4 8727 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_100000210202 [0,2,0,0,0,0|2,0,0]=4 8728 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_100000210202 [0,2,0,0,0,0|2,0,0]=4 8729 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)F 1458a_100000210414_100000187852 [0,2,0,0,0,0|2,0,0]=4 8730 B13R1.4928 CCC(=O)Cc1c(cccc1F)C 1458a_100000210414_100009814554 [0,2,0,0,0,0|2,0,0]=4 8731 B13R1.4928 CCC(=O)Cc1c(cccc1F)F 1458a_100000210414_100000698325 [0,2,0,0,0,0|2,0,0]=4 8732 B13R1.4928 CCC(=O)Cc1c(cccc1F)F 1458a_100000684726_100000210202 [0,2,0,0,0,0|2,0,0]=4 8733 B13R1.4928 CCC(=O)Cc1c(cccc1I)Br 1458a_100000210414_100010146611 [0,2,0,0,0,0|2,0,0]=4 8734 B13R1.4928 CCC(=O)Cc1c(cccc1I)C 1458a_100000210414_100010150146 [0,2,0,0,0,0|2,0,0]=4 8735 B13R1.4928 CCC(=O)Cc1c(cccc1I)F 1458a_100000210414_100010149602 [0,2,0,0,0,0|2,0,0]=4 8736 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100000210414 [0,2,0,0,0,0|1,0,0]=3 8737 B13R1.4928 CCC(=O)Nc1c(cccc1Br)C 11a_100011834072_100000210414 [0,2,0,0,0,0|1,0,0]=3 8738 B13R1.4928 CCC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100000210414 [0,2,0,0,0,0|1,0,0]=3 8739 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100000210414 [0,2,0,0,0,0|1,0,0]=3 8740 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100000210414 [0,2,0,0,0,0|1,0,0]=3 8741 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 11a_100000684712_100000210414 [0,2,0,0,0,0|1,0,0]=3 8742 B13R1.4928 CCC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100000210414 [0,2,0,0,0,0|1,0,0]=3 8743 B13R1.4928 CCC(=O)Nc1c(cccc1Br)O 527a_100011934926_100000210414 [0,2,0,0,0,0|0,0,0]=2 8744 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000210414 [0,2,0,0,0,0|1,0,0]=3 8745 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000210414 [0,2,0,0,0,0|1,0,0]=3 8746 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000210414 [0,2,0,0,0,0|1,0,0]=3 8747 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100000210414 [0,2,0,0,0,0|1,0,0]=3 8748 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000210414 [0,2,0,0,0,0|1,0,0]=3 8749 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210414 [0,2,0,0,0,0|1,0,0]=3 8750 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210414 [0,2,0,0,0,0|1,0,0]=3 8751 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100000210414 [0,2,0,0,0,0|1,0,0]=3 8752 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000210414 [0,2,0,0,0,0|1,0,0]=3 8753 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000210414 [0,2,0,0,0,0|0,0,0]=2 8754 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100000210414 [0,2,0,0,0,0|0,0,0]=2 8755 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 11a_100000766463_100000210414 [0,2,0,0,0,0|1,0,0]=3 8756 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000210414 [0,2,0,0,0,0|1,0,0]=3 8757 B13R1.4928 CCC(=O)Nc1c(cccc1F)C 22a_100000766463_100000210414 [0,2,0,0,0,0|1,0,0]=3 8758 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 11a_100000210704_100000210414 [0,2,0,0,0,0|1,0,0]=3 8759 B13R1.4928 CCC(=O)Nc1c(cccc1F)F 1626a_100000210704_100000210414 [0,2,0,0,0,0|1,0,0]=3 8760 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 22a_100020591140_100000210414 [0,2,0,0,0,0|0,0,0]=2 8761 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 527a_100020591140_100000210414 [0,2,0,0,0,0|0,0,0]=2 8762 B13R1.4928 CCC(=O)Nc1c(cccc1I)Br 11a_100010146558_100000210414 [0,2,0,0,0,0|1,0,0]=3 8763 B13R1.4928 CCC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100000210414 [0,2,0,0,0,0|1,0,0]=3 8764 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100000210414 [0,2,0,0,0,0|1,0,0]=3 8765 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100000210414 [0,2,0,0,0,0|1,0,0]=3 8766 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 11a_100000042321_100000210414 [0,2,0,0,0,0|1,0,0]=3 8767 B13R1.4928 CCC(=O)Nc1c(cccc1I)F 1626a_100000042321_100000210414 [0,2,0,0,0,0|1,0,0]=3 8768 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 22a_200000049512_100000210414 [0,2,0,0,0,0|0,0,0]=2 8769 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 527a_200000049512_100000210414 [0,2,0,0,0,0|0,0,0]=2 8770 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 22a_100000743429_100000210414 [0,2,0,0,0,0|0,0,0]=2 8771 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 527a_100000743429_100000210414 [0,2,0,0,0,0|0,0,0]=2 8772 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 22a_100011995820_100000210414 [0,2,0,0,0,0|0,0,0]=2 8773 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 527a_100011995820_100000210414 [0,2,0,0,0,0|0,0,0]=2 8774 B13R1.4928 CCC(C)Nc1c(cccc1Br)O 34a_100011934926_100011215416 [0,2,0,0,0,0|1,0,1]=4 8775 B13R1.4928 CCC(C)Nc1c(cccc1Cl)O 34a_100012022510_100011215416 [0,2,0,0,0,0|1,0,1]=4 8776 B13R1.4928 CCC(C)Nc1c(cccc1F)O 34a_100020591140_100011215416 [0,2,0,0,0,0|1,0,1]=4 8777 B13R1.4928 CCC(C)Nc1c(cccc1O)C 34a_100000743429_100011215416 [0,2,0,0,0,0|1,0,1]=4 8778 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 11a_106832991635_100010209379 [0,2,0,0,0,0|2,0,0]=4 8779 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 240690a_100102657272_100010209379 [0,2,0,0,0,0|2,0,0]=4 8780 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 527a_100102657272_100010209379 [0,2,0,0,0,0|2,0,0]=4 8781 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [0,2,0,0,0,0|2,0,0]=4 8782 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [0,2,0,0,0,0|2,0,0]=4 8783 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [0,2,0,0,0,0|2,0,0]=4 8784 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [0,2,0,0,0,0|2,0,0]=4 8785 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 11a_106832991635_100013084675 [0,2,0,0,0,0|2,0,0]=4 8786 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 1626a_100102657272_100013084675 [0,2,0,0,0,0|2,0,0]=4 8787 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 240690a_100102657272_100013084675 [0,2,0,0,0,0|2,0,0]=4 8788 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 527a_100102657272_100013084675 [0,2,0,0,0,0|2,0,0]=4 8789 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 11a_106832991635_100010172741 [0,2,0,0,0,0|2,0,0]=4 8790 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 1626a_100102657272_100010172741 [0,2,0,0,0,0|2,0,0]=4 8791 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 240690a_100102657272_100010172741 [0,2,0,0,0,0|2,0,0]=4 8792 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 527a_100102657272_100010172741 [0,2,0,0,0,0|2,0,0]=4 8793 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [0,2,0,0,0,0|2,0,0]=4 8794 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [0,2,0,0,0,0|2,0,0]=4 8795 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [0,2,0,0,0,0|2,0,0]=4 8796 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [0,2,0,0,0,0|2,0,0]=4 8797 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 11a_106832991635_100000211232 [0,2,0,0,0,0|2,0,0]=4 8798 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 1626a_100102657272_100000211232 [0,2,0,0,0,0|2,0,0]=4 8799 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 240690a_100102657272_100000211232 [0,2,0,0,0,0|2,0,0]=4 8800 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 527a_100102657272_100000211232 [0,2,0,0,0,0|2,0,0]=4 8801 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 11a_106832991635_100000185183 [0,2,0,0,0,0|2,0,0]=4 8802 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 1626a_100102657272_100000185183 [0,2,0,0,0,0|2,0,0]=4 8803 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 240690a_100102657272_100000185183 [0,2,0,0,0,0|2,0,0]=4 8804 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 527a_100102657272_100000185183 [0,2,0,0,0,0|2,0,0]=4 8805 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 11a_106832991635_100000684726 [0,2,0,0,0,0|2,0,0]=4 8806 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 1626a_100102657272_100000684726 [0,2,0,0,0,0|2,0,0]=4 8807 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 240690a_100102657272_100000684726 [0,2,0,0,0,0|2,0,0]=4 8808 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 527a_100102657272_100000684726 [0,2,0,0,0,0|2,0,0]=4 8809 B13R1.4928 CNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100102657272 [0,2,0,0,0,0|1,0,0]=3 8810 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [0,2,0,0,0,0|1,0,0]=3 8811 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100102657272 [0,2,0,0,0,0|1,0,0]=3 8812 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 512a_106832991638_100000185769 [0,2,0,0,0,0|1,0,0]=3 8813 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [0,2,0,0,0,0|1,0,0]=3 8814 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [0,2,0,0,0,0|1,0,0]=3 8815 B13R1.4928 CNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100102657272 [0,2,0,0,0,0|1,0,0]=3 8816 B13R1.4928 CNC(=O)Nc1c(cccc1F)F 2430a_100000210704_100102657272 [0,2,0,0,0,0|1,0,0]=3 8817 B13R1.4928 CNC(=O)Nc1c(cccc1F)O 2430a_100020591140_100102657272 [0,2,0,0,0,0|0,0,0]=2 8818 B13R1.4928 CNC(=O)Nc1c(cccc1I)Br 512a_100010146558_100102657272 [0,2,0,0,0,0|1,0,0]=3 8819 B13R1.4928 CNC(=O)Nc1c(cccc1I)F 2430a_100000042321_100102657272 [0,2,0,0,0,0|1,0,0]=3 8820 B13R1.4928 CNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100102657272 [0,2,0,0,0,0|0,0,0]=2 8821 B13R1.4928 COC(=O)Cc1c(cccc1F)O 271570a_203496583355_100010741561 [0,2,0,0,0,0|1,0,0]=3 8822 B13R1.4928 Cc1cccc(c1CC(=O)CF)Br 1458a_100010147022_100015361967 [0,2,0,0,0,0|2,0,0]=4 8823 B13R1.4928 Cc1cccc(c1CC(=O)CF)C 1458a_100000689862_100015361967 [0,2,0,0,0,0|2,0,0]=4 8824 B13R1.4928 Cc1cccc(c1CC(=O)CO)Br 1458a_100000210174_100010146847 [0,2,0,0,0,0|2,0,0]=4 8825 B13R1.4928 Cc1cccc(c1CC(=O)CO)C 1458a_100000210174_100000758300 [0,2,0,0,0,0|2,0,0]=4 8826 B13R1.4928 Cc1cccc(c1CC(=O)CO)F 1458a_100000210174_100009814554 [0,2,0,0,0,0|2,0,0]=4 8827 B13R1.4928 Cc1cccc(c1CC(=O)CO)I 1458a_100000210174_100010150146 [0,2,0,0,0,0|2,0,0]=4 8828 B13R1.4928 Cc1cccc(c1NC(=O)CO)C 22a_100000185769_100000210174 [0,2,0,0,0,0|1,0,0]=3 8829 B13R1.4928 Cc1cccc(c1NC(=O)CO)F 22a_100000766463_100000210174 [0,2,0,0,0,0|1,0,0]=3 8830 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 22a_100000743429_100000210174 [0,2,0,0,0,0|0,0,0]=2 8831 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 527a_100000743429_100000210174 [0,2,0,0,0,0|0,0,0]=2 8832 B13R1.4928 Cc1cccc(c1NC(C)CO)O 34a_100000743429_100012180447 [0,2,0,0,0,0|0,0,2]=4 8833 B13R1.4928 O=C(CF)Cc1c(cccc1Br)Br 1458a_100010209379_100015361967 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.4928 O=C(CF)Cc1c(cccc1Br)Cl 1458a_100013084675_100015361967 [0,2,0,0,0,0|2,0,0]=4 8835 B13R1.4928 O=C(CF)Cc1c(cccc1Br)F 1458a_100010172741_100015361967 [0,2,0,0,0,0|2,0,0]=4 8836 B13R1.4928 O=C(CF)Cc1c(cccc1Cl)Cl 1458a_100000211232_100015361967 [0,2,0,0,0,0|2,0,0]=4 8837 B13R1.4928 O=C(CF)Cc1c(cccc1Cl)F 1458a_100000185183_100015361967 [0,2,0,0,0,0|2,0,0]=4 8838 B13R1.4928 O=C(CF)Cc1c(cccc1F)F 1458a_100000684726_100015361967 [0,2,0,0,0,0|2,0,0]=4 8839 B13R1.4928 O=C(CO)Cc1c(cccc1Br)Cl 1458a_100000210174_100010138402 [0,2,0,0,0,0|2,0,0]=4 8840 B13R1.4928 O=C(CO)Cc1c(cccc1Br)F 1458a_100000210174_100000696636 [0,2,0,0,0,0|2,0,0]=4 8841 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)Cl 1458a_100000210174_100000187851 [0,2,0,0,0,0|2,0,0]=4 8842 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)F 1458a_100000210174_100000187852 [0,2,0,0,0,0|2,0,0]=4 8843 B13R1.4928 O=C(CO)Cc1c(cccc1F)F 1458a_100000210174_100000698325 [0,2,0,0,0,0|2,0,0]=4 8844 B13R1.4928 O=C(CO)Cc1c(cccc1I)Br 1458a_100000210174_100010146611 [0,2,0,0,0,0|2,0,0]=4 8845 B13R1.4928 O=C(CO)Cc1c(cccc1I)F 1458a_100000210174_100010149602 [0,2,0,0,0,0|2,0,0]=4 8846 B13R1.4928 O=C(CO)Nc1c(cccc1Br)O 527a_100011934926_100000210174 [0,2,0,0,0,0|0,0,0]=2 8847 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 22a_100012022510_100000210174 [0,2,0,0,0,0|0,0,0]=2 8848 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 527a_100012022510_100000210174 [0,2,0,0,0,0|0,0,0]=2 8849 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 22a_100020591140_100000210174 [0,2,0,0,0,0|0,0,0]=2 8850 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 527a_100020591140_100000210174 [0,2,0,0,0,0|0,0,0]=2 8851 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 22a_200000049512_100000210174 [0,2,0,0,0,0|0,0,0]=2 8852 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 527a_200000049512_100000210174 [0,2,0,0,0,0|0,0,0]=2 8853 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 22a_100011995820_100000210174 [0,2,0,0,0,0|0,0,0]=2 8854 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 527a_100011995820_100000210174 [0,2,0,0,0,0|0,0,0]=2 8855 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,1,1,0,0|2,0,0]=4 8856 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,1,1,0,0|2,0,0]=4 8857 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,1,1,0,0|1,0,1]=4 8858 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,1,1,0,0|1,0,1]=4 8859 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,1,1,0,0|1,0,1]=4 8860 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,1,1,0,0|1,0,1]=4 8861 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,1,1,0,0|1,0,1]=4 8862 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,1,1,0,0|1,0,1]=4 8863 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,1,1,0,0|1,0,1]=4 8864 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,1,1,0,0|1,0,1]=4 8865 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,1,1,0,0|2,0,0]=4 8866 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,1,1,0,0|2,0,0]=4 8867 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,1,1,0,0|2,0,0]=4 8868 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,1,1,0,0|2,0,0]=4 8869 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,1,1,0,0|0,0,2]=4 8870 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,1,1,0,0|0,0,2]=4 8871 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,1,1,0,0|0,0,2]=4 8872 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,1,1,0,0|0,0,2]=4 8873 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,1,1,0,0|2,0,0]=4 8874 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,1,1,0,0|1,0,0]=3 8875 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,1,1,0,0|1,1,0]=4 8876 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,1,1,0,0|2,0,0]=4 8877 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,1,1,0,0|2,0,0]=4 8878 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,0,1,1,0,0|2,0,0]=4 8879 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,0,1,1,0,0|0,0,2]=4 8880 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,0,1,1,0,0|0,0,2]=4 8881 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,0,1,1,0,0|0,0,2]=4 8882 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,0,1,1,0,0|0,0,2]=4 8883 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,0,1,1,0,0|2,0,0]=4 8884 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,0,1,1,0,0|1,0,1]=4 8885 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,0,1,1,0,0|2,0,0]=4 8886 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,0,1,1,0,0|1,0,1]=4 8887 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,0,1,1,0,0|1,0,1]=4 8888 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,0,1,1,0,0|1,0,1]=4 8889 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,0,1,1,0,0|1,0,1]=4 8890 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,0,1,1,0,0|0,0,2]=4 8891 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,0,1,1,0,0|0,0,2]=4 8892 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,0,1,1,0,0|0,0,2]=4 8893 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,0,1,1,0,0|0,0,2]=4 8894 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,0,1,1,0,0|1,0,1]=4 8895 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,0,1,1,0,0|2,0,0]=4 8896 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,0,1,1,0,0|2,0,0]=4 8897 B11R1.43 C=Cc1ccc(s1)NC(=O)C 271570a_100011290941_100010002808 [0,0,1,1,0,0|2,0,0]=4 8898 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|1,0,1]=4 8899 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|1,0,1]=4 8900 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,1,0,0|1,0,1]=4 8901 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [1,0,0,1,0,0|1,0,1]=4 8902 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [1,0,0,1,0,0|1,0,1]=4 8903 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [1,0,0,1,0,0|1,0,1]=4 8904 B11R2.106 Oc1cccc2c1CCC2 271570a_203496583355_100010343934 [1,0,0,1,0,0|1,0,1]=4 8905 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [1,0,0,1,0,0|2,0,0]=4 8906 B11R2.106 Oc1cccc2c1COC2 271570a_203496583355_100010384907 [1,0,0,1,0,0|2,0,0]=4 8907 B11R2.106 Oc1cccc2c1NCC2 271570a_203496583355_100016995435 [1,0,0,1,0,0|0,0,1]=3 8908 B11R2.106 Oc1cccc2c1OCC2 271570a_203496583355_100009818991 [1,0,0,1,0,0|1,0,1]=4 8909 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [1,0,0,1,0,0|0,0,1]=3 8910 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [1,0,0,1,0,0|1,0,1]=4 8911 B11R2.106 Oc1cccc2c1[nH]nn2 271570a_203496583355_100009820029 [1,0,0,1,0,0|2,0,0]=4 8912 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [1,0,0,1,0,0|2,0,0]=4 8913 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [1,0,0,1,0,0|1,0,1]=4 8914 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [1,0,0,1,0,0|1,1,0]=4 8915 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [1,0,0,1,0,0|1,0,1]=4 8916 B11R2.106 Oc1cccc2c1nco2 271570a_203496583355_100009816834 [1,0,0,1,0,0|0,0,2]=4 8917 B11R2.106 Oc1cccc2c1ncs2 271570a_203496583355_100000726125 [1,0,0,1,0,0|0,1,1]=4 8918 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [1,0,0,1,0,0|1,0,1]=4 8919 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [1,0,0,1,0,0|2,0,0]=4 8920 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [1,0,0,1,0,0|1,0,1]=4 8921 B11R2.106 Oc1cccc2c1scn2 271570a_203496583355_100010246326 [1,0,0,1,0,0|2,0,0]=4 8922 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [1,0,0,1,0,0|1,0,1]=4 8923 B11R2.106 Oc1cncc2c1[nH]cc2 271570a_203496583355_100000217057 [1,0,0,1,0,0|1,0,1]=4 8924 B11R2.106 Oc1cncc2c1[nH]cn2 271570a_203496583355_100000759552 [1,0,0,1,0,0|2,0,0]=4 8925 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [1,0,0,1,0,0|1,0,1]=4 8926 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|1,0,1]=4 8927 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,1,0|0,0,2]=4 8928 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,1,0,1|2,0,0]=4 8929 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,0,1,0,1|2,0,0]=4 8930 B13R2.435 C=C(C)c1nc2ccccc2[nH]1 271570a_100000694244_100009814255 [0,0,0,1,0,1|2,0,0]=4 8931 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,1,0,1|2,0,0]=4 8932 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,1,0,1|2,0,0]=4 8933 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,1,0,1|2,0,0]=4 8934 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,1,0,1|1,0,0]=3 8935 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,1,0,1|1,1,0]=4 8936 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,0,0,1,0,1|1,0,0]=3 8937 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,0,0,1,0,1|1,0,0]=3 8938 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,0,0,1,0,1|1,0,0]=3 8939 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,0,0,1,0,1|1,0,0]=3 8940 B13R2.435 CC(=O)N1Cc2cccnc2C1 11a_100000726175_100015343762 [0,0,0,1,0,1|2,0,0]=4 8941 B13R2.435 CC(=O)N1Cc2cccnc2C1 1626a_100000726175_100015343762 [0,0,0,1,0,1|2,0,0]=4 8942 B13R2.435 CC(=O)N1Cc2cccnc2C1 240690a_100000726175_100015343762 [0,0,0,1,0,1|2,0,0]=4 8943 B13R2.435 CC(=O)N1Cc2cccnc2C1 527a_100000726175_100103153847 [0,0,0,1,0,1|2,0,0]=4 8944 B13R2.435 CC(=O)N1Cc2ccncc2C1 11a_100000730608_100015343762 [0,0,0,1,0,1|2,0,0]=4 8945 B13R2.435 CC(=O)N1Cc2ccncc2C1 1626a_100000730608_100015343762 [0,0,0,1,0,1|2,0,0]=4 8946 B13R2.435 CC(=O)N1Cc2ccncc2C1 240690a_100000730608_100015343762 [0,0,0,1,0,1|2,0,0]=4 8947 B13R2.435 CC(=O)N1Cc2ccncc2C1 527a_100000730608_100103153847 [0,0,0,1,0,1|2,0,0]=4 8948 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,1,0,1|2,0,0]=4 8949 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,1,0,1|2,0,0]=4 8950 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,1,0,1|1,0,0]=3 8951 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,1,0,1|1,1,0]=4 8952 B13R2.3587 Oc1ccccc1CNC2CC2 34a_100000185550_100000211595 [0,0,0,1,0,1|1,0,1]=4 8953 B13R2.3587 Oc1ccccc1NCC2CC2 34a_100000185747_100000742324 [0,0,0,1,0,1|1,0,1]=4 8954 B13R2.3587 Oc1ccccc1NCC2CO2 34a_100000185747_102125554688 [0,0,0,1,0,1|0,0,2]=4 8955 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [0,0,0,1,0,1|2,0,0]=4 8956 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,0,0,1,0,1|1,0,0]=3 8957 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,0,0,1,0,1|2,0,0]=4 8958 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,0,0,1,0,1|2,0,0]=4 8959 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,0,0,1,0,1|2,0,0]=4 8960 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,0,0,1,0,1|2,0,0]=4 8961 B13R2.72 C=C(C)c1coc2c1cccc2 271570a_100000694244_100009812202 [0,1,0,1,0,0|2,0,0]=4 8962 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,1,0,1,0,0|2,0,0]=4 8963 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,1,0,1,0,0|2,0,0]=4 8964 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,1,0,1,0,0|2,0,0]=4 8965 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,1,0,1,0,0|2,0,0]=4 8966 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,1,0,1,0,0|2,0,0]=4 8967 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,1,0,1,0,0|2,0,0]=4 8968 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,1,0,1,0,0|1,0,1]=4 8969 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,1,0,1,0,0|2,0,0]=4 8970 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,1,0,1,0,0|1,0,1]=4 8971 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,1,0,1,0,0|0,0,1]=3 8972 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,1,0,1,0,0|1,0,1]=4 8973 B13R2.581 C=Cc1cccc2c1CC(=O)C2 271570a_100011290941_100010205903 [0,1,0,1,0,0|2,0,0]=4 8974 B13R2.581 C=Cc1cccc2c1NC(=O)C2 271570a_100011290941_100000767046 [0,1,0,1,0,0|1,0,0]=3 8975 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [0,1,0,1,0,0|2,0,0]=4 8976 B13R2.581 CSc1cccc2c1CC(=O)C2 62a_100010205903_200000210301 [0,1,0,1,0,0|1,1,0]=4 8977 B13R2.581 CSc1cccc2c1NC(=O)C2 62a_200000210301_100000767046 [0,1,0,1,0,0|0,1,0]=3 8978 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [0,1,0,1,0,0|2,0,0]=4 8979 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)C2 62a_100010205903_200025704644 [0,1,0,1,0,0|1,1,0]=4 8980 B13R2.581 [13CH3]Sc1cccc2c1NC(=O)C2 62a_200025704644_100000767046 [0,1,0,1,0,0|0,1,0]=3 8981 B13R2.621 COc1ccccc1NC2CC2 34a_100000210025_100000211595 [0,1,0,1,0,0|1,0,1]=4 8982 B13R2.621 OCc1ccccc1NC2CC2 34a_100000212039_100000211595 [0,1,0,1,0,0|1,0,1]=4 8983 B13R2.3097 CN(c1ccccc1O)C2CC2 269982a_100000033821_100000211595 [0,1,0,1,0,0|1,0,1]=4 8984 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,1,0,0|0,0,0]=2 8985 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,1,0,0|1,0,0]=3 8986 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,1,0,0|2,0,0]=4 8987 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,1,0,1,0,0|2,0,0]=4 8988 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,1,0,1,0,0|1,0,0]=3 8989 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,1,0,1,0,0|0,0,0]=2 8990 B13R2.155 O=C1COc2ccc(nc2N1)O 271570a_203496583355_100010235088 [0,1,0,1,0,0|1,0,0]=3 8991 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [0,1,0,1,0,0|1,0,0]=3 8992 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,1,0,1,0,0|0,1,0]=3 8993 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,1,0,1,0,0|2,0,0]=4 8994 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,1,0,1,0,0|2,0,0]=4 8995 B13R2.175 Cc1ccc(c(c1)NC2CC2)O 34a_100011215204_100000211595 [0,1,0,1,0,0|1,0,1]=4 8996 B13R2.175 Oc1ccc(cc1NC2CC2)Br 34a_100000752626_100000211595 [0,1,0,1,0,0|1,0,1]=4 8997 B13R2.175 Oc1ccc(cc1NC2CC2)Cl 34a_100000210500_100000211595 [0,1,0,1,0,0|1,0,1]=4 8998 B13R2.175 Oc1ccc(cc1NC2CC2)F 34a_100000759472_100000211595 [0,1,0,1,0,0|1,0,1]=4 8999 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [0,1,0,1,0,0|1,0,0]=3 9000 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,1,0,1,0,0|2,0,0]=4 9001 B13R2.5325 Cc1cccc(c1O)NC2CC2 34a_100000756359_100000211595 [0,1,0,1,0,0|1,0,1]=4 9002 B13R2.5325 Oc1c(cccc1NC2CC2)Br 34a_100011934915_100000211595 [0,1,0,1,0,0|1,0,1]=4 9003 B13R2.5325 Oc1c(cccc1NC2CC2)Cl 34a_100000754742_100000211595 [0,1,0,1,0,0|1,0,1]=4 9004 B13R2.5325 Oc1c(cccc1NC2CC2)F 34a_100011934987_100000211595 [0,1,0,1,0,0|1,0,1]=4 9005 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,1,0,1,0,0|2,0,0]=4 9006 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,1,0,1,0,0|1,0,0]=3 9007 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|2,0,0]=4 9008 B13R2.3683 O=C1CCc2cc(cnc2N1)O 271570a_203496583355_100010162403 [0,1,0,1,0,0|2,0,0]=4 9009 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [0,1,0,1,0,0|1,0,0]=3 9010 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,1,0,1,0,0|0,0,0]=2 9011 B13R2.3683 O=C1COc2cc(cnc2N1)O 271570a_203496583355_100010209494 [0,1,0,1,0,0|1,0,0]=3 9012 B13R2.3683 O=C1COc2nc(ccc2N1)O 271570a_203496583355_100010201792 [0,1,0,1,0,0|1,0,0]=3 9013 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [0,1,0,1,0,0|0,1,0]=3 9014 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [0,1,0,1,0,0|2,0,0]=4 9015 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,1,0,1,0,0|2,0,0]=4 9016 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [0,1,0,1,0,0|1,0,1]=4 9017 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [0,1,0,1,0,0|1,0,1]=4 9018 B13R2.5397 Nc1nc2cc(cc(c2[nH]1)O)O 271570a_203496583355_100015644475 [0,1,0,1,0,0|2,0,0]=4 9019 B13R2.5400 Cc1ccc(c(c1)O)NC2CC2 34a_100000211527_100000211595 [0,1,0,1,0,0|1,0,1]=4 9020 B13R2.5400 Oc1cc(ccc1NC2CC2)Br 34a_100000739049_100000211595 [0,1,0,1,0,0|1,0,1]=4 9021 B13R2.5400 Oc1cc(ccc1NC2CC2)Cl 34a_100000185728_100000211595 [0,1,0,1,0,0|1,0,1]=4 9022 B13R2.5400 Oc1cc(ccc1NC2CC2)F 34a_100000753323_100000211595 [0,1,0,1,0,0|1,0,1]=4 9023 B13R2.5400 Oc1ccc(c(c1)O)NC2CC2 34a_100000106777_100000211595 [0,1,0,1,0,0|1,0,1]=4 9024 B13R2.54 CSc1cc2cccc(c2[nH]1)Br 62a_100135389745_200000210301 [0,1,0,1,0,0|2,0,0]=4 9025 B13R2.54 CSc1cc2cccc(c2[nH]1)Br 62a_200000210301_100135389745 [0,1,0,1,0,0|2,0,0]=4 9026 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [0,1,0,1,0,0|2,0,0]=4 9027 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [0,1,0,1,0,0|1,0,1]=4 9028 B13R2.54 OCc1cc2cccc(c2s1)O 271570a_203496583355_100010255382 [0,1,0,1,0,0|2,0,0]=4 9029 B13R2.54 [13CH3]Sc1cc2cccc(c2[nH]1)Br 62a_100135389745_200025704644 [0,1,0,1,0,0|2,0,0]=4 9030 B13R2.54 [13CH3]Sc1cc2cccc(c2[nH]1)Br 62a_200025704644_100135389745 [0,1,0,1,0,0|2,0,0]=4 9031 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [0,1,0,1,0,0|1,0,1]=4 9032 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,1,0,1,0,0|1,0,0]=3 9033 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [0,1,0,1,0,0|0,0,1]=3 9034 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,1,0,1,0,0|2,0,0]=4 9035 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,1,0,0|1,0,1]=4 9036 B13R2.4825 CN1Cc2c(cccc2C1=O)O 271570a_203496583355_100009817108 [0,1,0,1,0,0|2,0,0]=4 9037 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,1,0,0|0,0,1]=3 9038 B13R2.5225 Oc1ccccc1NC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|1,0,1]=4 9039 B13R2.5225 Oc1ccccc1NC2COC2 34a_100000185747_100009818527 [0,1,0,1,0,0|0,0,2]=4 9040 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|2,0,0]=4 9041 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,1,0,1,0,0|2,0,0]=4 9042 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 9043 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 9044 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 9045 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,1,0,1,0,0|2,0,0]=4 9046 B13R2.402 Cc1cccc(c1NC2CC2)O 34a_100000743429_100000211595 [0,1,0,1,0,0|1,0,1]=4 9047 B13R2.402 Oc1cccc(c1NC2CC2)Br 34a_100011934926_100000211595 [0,1,0,1,0,0|1,0,1]=4 9048 B13R2.402 Oc1cccc(c1NC2CC2)Cl 34a_100012022510_100000211595 [0,1,0,1,0,0|1,0,1]=4 9049 B13R2.402 Oc1cccc(c1NC2CC2)F 34a_100020591140_100000211595 [0,1,0,1,0,0|1,0,1]=4 9050 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,1,0|1,0,0]=3 9051 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,1,0|2,0,0]=4 9052 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,1,0|2,0,0]=4 9053 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,1,0|2,0,0]=4 9054 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,1,0|0,0,0]=2 9055 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 9056 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 9057 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 9058 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 9059 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 9060 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 9061 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,1,0|0,0,0]=2 9062 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|2,0,0]=4 9063 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|2,0,0]=4 9064 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|2,0,0]=4 9065 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,1,0|2,0,0]=4 9066 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,1,0|2,0,0]=4 9067 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,1,0|2,0,0]=4 9068 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,1,0|2,0,0]=4 9069 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|2,0,0]=4 9070 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|2,0,0]=4 9071 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|2,0,0]=4 9072 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,1,0|2,0,0]=4 9073 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,1,0|2,0,0]=4 9074 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,1,0|2,0,0]=4 9075 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,2,0|1,0,0]=3 9076 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,2,0|2,0,0]=4 9077 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,0,0,0,2,0|2,0,0]=4 9078 B13R1.158 C=C(C)C=NNc1ccccc1Br 4a_100000241748_100000210575 [0,0,0,0,0,2|2,0,0]=4 9079 B13R1.158 C=C(C)C=NNc1ccccc1C 4a_100000184220_100000210575 [0,0,0,0,0,2|2,0,0]=4 9080 B13R1.158 C=C(C)C=NNc1ccccc1Cl 4a_100000683529_100000210575 [0,0,0,0,0,2|2,0,0]=4 9081 B13R1.158 C=C(C)C=NNc1ccccc1F 4a_100000239246_100000210575 [0,0,0,0,0,2|2,0,0]=4 9082 B13R1.158 C=C(C)C=NNc1ccccc1I 4a_100011218156_100000210575 [0,0,0,0,0,2|2,0,0]=4 9083 B13R1.158 C=C(C)CCNc1ccccc1Br 34a_100000210017_100000730704 [0,0,0,0,0,2|2,0,0]=4 9084 B13R1.158 C=C(C)CCNc1ccccc1C 34a_100015192222_100000730704 [0,0,0,0,0,2|2,0,0]=4 9085 B13R1.158 C=C(C)CCNc1ccccc1Cl 34a_100000185783_100000730704 [0,0,0,0,0,2|2,0,0]=4 9086 B13R1.158 C=C(C)CCNc1ccccc1F 34a_100000210422_100000730704 [0,0,0,0,0,2|2,0,0]=4 9087 B13R1.158 C=C(C)CCNc1ccccc1I 34a_100000210053_100000730704 [0,0,0,0,0,2|2,0,0]=4 9088 B13R1.158 C=C(C)CCNc1ccccc1O 34a_100000185747_100000730704 [0,0,0,0,0,2|1,0,0]=3 9089 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000730704_100000739446 [0,0,0,0,0,2|2,0,0]=4 9090 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000739446_100000730704 [0,0,0,0,0,2|2,0,0]=4 9091 B13R1.158 C=C(C)CNCc1ccccc1Br 2230a_100000689332_100000748629 [0,0,0,0,0,2|2,0,0]=4 9092 B13R1.158 C=C(C)CNCc1ccccc1Br 34a_100000689332_100000748629 [0,0,0,0,0,2|2,0,0]=4 9093 B13R1.158 C=C(C)CNCc1ccccc1C 34a_100000174972_100000748629 [0,0,0,0,0,2|2,0,0]=4 9094 B13R1.158 C=C(C)CNCc1ccccc1Cl 2230a_100000174879_100000748629 [0,0,0,0,0,2|2,0,0]=4 9095 B13R1.158 C=C(C)CNCc1ccccc1Cl 34a_100000174879_100000748629 [0,0,0,0,0,2|2,0,0]=4 9096 B13R1.158 C=C(C)CNCc1ccccc1F 34a_100000174869_100000748629 [0,0,0,0,0,2|2,0,0]=4 9097 B13R1.158 C=C(C)CNCc1ccccc1O 34a_100000185550_100000748629 [0,0,0,0,0,2|1,0,0]=3 9098 B13R1.158 C=C(F)CNCc1ccccc1O 34a_100000185550_100009893438 [0,0,0,0,0,2|1,0,1]=4 9099 B13R1.158 CC(=CCNc1ccccc1Br)C 34a_100000210017_100000761012 [0,0,0,0,0,2|2,0,0]=4 9100 B13R1.158 CC(=CCNc1ccccc1C)C 34a_100015192222_100000761012 [0,0,0,0,0,2|2,0,0]=4 9101 B13R1.158 CC(=CCNc1ccccc1Cl)C 34a_100000185783_100000761012 [0,0,0,0,0,2|2,0,0]=4 9102 B13R1.158 CC(=CCNc1ccccc1F)C 34a_100000210422_100000761012 [0,0,0,0,0,2|2,0,0]=4 9103 B13R1.158 CC(=CCNc1ccccc1I)C 34a_100000210053_100000761012 [0,0,0,0,0,2|2,0,0]=4 9104 B13R1.158 CC(=CCNc1ccccc1O)C 34a_100000185747_100000761012 [0,0,0,0,0,2|1,0,0]=3 9105 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000739446_100000761012 [0,0,0,0,0,2|2,0,0]=4 9106 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000761012_100000739446 [0,0,0,0,0,2|2,0,0]=4 9107 B13R1.158 CC(=O)CC#Cc1ccccc1Br 1458a_100000070787_100010706765 [0,0,0,0,0,2|2,0,0]=4 9108 B13R1.158 CC(=O)CC#Cc1ccccc1F 1458a_100000070787_100010404167 [0,0,0,0,0,2|2,0,0]=4 9109 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,0,0,0,0,2|2,0,0]=4 9110 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,0,0,0,0,2|2,0,0]=4 9111 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,0,0,0,0,2|1,0,0]=3 9112 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,0,0,0,0,2|2,0,0]=4 9113 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,0,0,0,0,2|2,0,0]=4 9114 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,0,0,0,0,2|2,0,0]=4 9115 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,0,0,0,0,2|2,0,0]=4 9116 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,0,0,0,0,2|2,0,0]=4 9117 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,0,0,0,0,2|2,0,0]=4 9118 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,0,0,0,0,2|2,0,0]=4 9119 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,0,0,0,0,2|2,0,0]=4 9120 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,0,0,0,0,2|2,0,0]=4 9121 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,0,0,0,0,2|2,0,0]=4 9122 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,0,0,0,0,2|2,0,0]=4 9123 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,0,0,0,0,2|2,0,0]=4 9124 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,0,0,0,0,2|2,0,0]=4 9125 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000053229_100000695589 [0,0,0,0,0,2|2,0,0]=4 9126 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000695589_100000053229 [0,0,0,0,0,2|2,0,0]=4 9127 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,0,0,0,0,2|2,0,0]=4 9128 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,0,0,0,0,2|2,0,0]=4 9129 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000053229_100000764095 [0,0,0,0,0,2|2,0,0]=4 9130 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000764095_100000053229 [0,0,0,0,0,2|2,0,0]=4 9131 B13R1.158 CC(=O)CCSc1ccccc1F 1458a_100000208832_200000210301 [0,0,0,0,0,2|2,0,0]=4 9132 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100000053229_100011215700 [0,0,0,0,0,2|2,0,0]=4 9133 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100011215700_100000053229 [0,0,0,0,0,2|2,0,0]=4 9134 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [0,0,0,0,0,2|2,0,0]=4 9135 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [0,0,0,0,0,2|2,0,0]=4 9136 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,0,0,0,0,2|1,0,0]=3 9137 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,0,0,0,0,2|1,0,0]=3 9138 B13R1.158 CC(=O)CCSc1cccnc1O 62a_100000053229_100000760158 [0,0,0,0,0,2|2,0,0]=4 9139 B13R1.158 CC(=O)CCSc1cccnc1O 62a_100000760158_100000053229 [0,0,0,0,0,2|2,0,0]=4 9140 B13R1.158 CC(=O)CCSc1ccncc1O 62a_100000053229_100009817591 [0,0,0,0,0,2|2,0,0]=4 9141 B13R1.158 CC(=O)CCSc1ccncc1O 62a_100009817591_100000053229 [0,0,0,0,0,2|2,0,0]=4 9142 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000034122_100000053229 [0,0,0,0,0,2|2,0,0]=4 9143 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000053229_100000034122 [0,0,0,0,0,2|2,0,0]=4 9144 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,0,0,0,0,2|2,0,0]=4 9145 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,0,0,0,0,2|2,0,0]=4 9146 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,0,0,0,0,2|2,0,0]=4 9147 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,0,0,0,0,2|2,0,0]=4 9148 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,0,0,0,0,2|2,0,0]=4 9149 B13R1.158 CC(=O)COCc1ncccc1O 34a_100000211253_200020655725 [0,0,0,0,0,2|2,0,0]=4 9150 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,0,0,0,0,2|2,0,0]=4 9151 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,0,0,0,0,2|2,0,0]=4 9152 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,0,0,0,0,2|2,0,0]=4 9153 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,0,0,0,0,2|1,0,0]=3 9154 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,0,0,0,0,2|1,0,0]=3 9155 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,0,0,0,0,2|1,0,0]=3 9156 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,0,0,0,0,2|1,0,0]=3 9157 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,0,0,0,0,2|1,0,0]=3 9158 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,0,0,0,0,2|1,0,0]=3 9159 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,0,0,0,0,2|1,0,0]=3 9160 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,0,0,0,0,2|1,0,0]=3 9161 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,0,0,0,0,2|1,0,0]=3 9162 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,0,0,0,0,2|1,0,0]=3 9163 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,0,0,0,0,2|1,0,0]=3 9164 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,0,0,0,0,2|1,0,0]=3 9165 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,0,0,0,0,2|1,0,0]=3 9166 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,0,0,0,0,2|1,0,0]=3 9167 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,0,0,0,0,2|1,0,0]=3 9168 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,0,0,0,0,2|1,0,0]=3 9169 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,0,0,0,0,2|0,0,0]=2 9170 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,0,0,0,0,2|0,0,0]=2 9171 B13R1.158 CC(=O)NCCn1ccccc1=O 1626a_100000687133_100015343762 [0,0,0,0,0,2|1,0,1]=4 9172 B13R1.158 CC(=O)NCCn1ccccc1=O 240690a_100000687133_100015343762 [0,0,0,0,0,2|1,0,1]=4 9173 B13R1.158 CC(=O)NCCn1ccccc1=O 527a_100000687133_100103153847 [0,0,0,0,0,2|1,0,1]=4 9174 B13R1.158 CC(=O)NN=Cc1c[nH]ccc1=O 4a_100000189765_100012001694 [0,0,0,0,0,2|1,0,1]=4 9175 B13R1.158 CC(=O)NN=Cc1ccccc1Br 4a_100000189765_100000211189 [0,0,0,0,0,2|1,0,0]=3 9176 B13R1.158 CC(=O)NN=Cc1ccccc1C 4a_100000189765_100000211143 [0,0,0,0,0,2|1,0,0]=3 9177 B13R1.158 CC(=O)NN=Cc1ccccc1Cl 4a_100000189765_100000210073 [0,0,0,0,0,2|1,0,0]=3 9178 B13R1.158 CC(=O)NN=Cc1ccccc1F 4a_100000189765_100000210811 [0,0,0,0,0,2|1,0,0]=3 9179 B13R1.158 CC(=O)NN=Cc1ccccc1I 4a_100000189765_100000010305 [0,0,0,0,0,2|1,0,0]=3 9180 B13R1.158 CC(=O)NN=Cc1ccccc1O 4a_100000189765_100000185834 [0,0,0,0,0,2|0,0,0]=2 9181 B13R1.158 CC(=O)NN=Cc1cccnc1Br 4a_100000189765_100009816751 [0,0,0,0,0,2|2,0,0]=4 9182 B13R1.158 CC(=O)NN=Cc1cccnc1C 4a_100000189765_100000751968 [0,0,0,0,0,2|2,0,0]=4 9183 B13R1.158 CC(=O)NN=Cc1cccnc1Cl 4a_100000189765_100000749341 [0,0,0,0,0,2|2,0,0]=4 9184 B13R1.158 CC(=O)NN=Cc1cccnc1F 4a_100000189765_100000067307 [0,0,0,0,0,2|2,0,0]=4 9185 B13R1.158 CC(=O)NN=Cc1cccnc1O 4a_100000189765_100011998315 [0,0,0,0,0,2|1,0,0]=3 9186 B13R1.158 CC(=O)NN=Cc1ccncc1Br 4a_100000189765_100000755692 [0,0,0,0,0,2|2,0,0]=4 9187 B13R1.158 CC(=O)NN=Cc1ccncc1Cl 4a_100000189765_100011934409 [0,0,0,0,0,2|2,0,0]=4 9188 B13R1.158 CC(=O)NN=Cc1ccncc1F 4a_100000189765_100011934595 [0,0,0,0,0,2|2,0,0]=4 9189 B13R1.158 CC(=O)NN=Cc1ccncc1O 4a_100000189765_100000077405 [0,0,0,0,0,2|1,0,0]=3 9190 B13R1.158 CC(=O)NN=Cc1cnccc1Br 4a_100000189765_100009816821 [0,0,0,0,0,2|2,0,0]=4 9191 B13R1.158 CC(=O)NN=Cc1cnccc1C 4a_100000189765_100000685662 [0,0,0,0,0,2|2,0,0]=4 9192 B13R1.158 CC(=O)NN=Cc1cnccc1Cl 4a_100000189765_100000050567 [0,0,0,0,0,2|2,0,0]=4 9193 B13R1.158 CC(=O)NN=Cc1ncccc1Br 4a_100000189765_100011934733 [0,0,0,0,0,2|2,0,0]=4 9194 B13R1.158 CC(=O)NN=Cc1ncccc1C 4a_100000189765_100000698913 [0,0,0,0,0,2|2,0,0]=4 9195 B13R1.158 CC(=O)NN=Cc1ncccc1Cl 4a_100000189765_100012001307 [0,0,0,0,0,2|2,0,0]=4 9196 B13R1.158 CC(=O)NN=Cc1ncccc1F 4a_100000189765_100011934734 [0,0,0,0,0,2|2,0,0]=4 9197 B13R1.158 CC(=O)NN=Cc1ncccc1O 4a_100000189765_100000042352 [0,0,0,0,0,2|1,0,0]=3 9198 B13R1.158 CC(=O)NNCc1ccccc1Br 22a_200016993956_100000070787 [0,0,0,0,0,2|1,0,0]=3 9199 B13R1.158 CC(=O)NNCc1ccccc1C 22a_100000737298_100000070787 [0,0,0,0,0,2|1,0,0]=3 9200 B13R1.158 CC(=O)NNCc1ccccc1Cl 22a_100015187261_100000070787 [0,0,0,0,0,2|1,0,0]=3 9201 B13R1.158 CC(=O)NNCc1ccccc1F 22a_100015200773_100000070787 [0,0,0,0,0,2|1,0,0]=3 9202 B13R1.158 CC(=O)OCNc1ccccc1Br 34a_100000210017_100009813279 [0,0,0,0,0,2|1,0,0]=3 9203 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [0,0,0,0,0,2|1,0,0]=3 9204 B13R1.158 CC(=O)OCNc1ccccc1Cl 34a_100000185783_100009813279 [0,0,0,0,0,2|1,0,0]=3 9205 B13R1.158 CC(=O)OCNc1ccccc1F 34a_100000210422_100009813279 [0,0,0,0,0,2|1,0,0]=3 9206 B13R1.158 CC(=O)OCNc1ccccc1I 34a_100000210053_100009813279 [0,0,0,0,0,2|1,0,0]=3 9207 B13R1.158 CC(=O)OCNc1ccccc1O 34a_100000185747_100009813279 [0,0,0,0,0,2|0,0,0]=2 9208 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [0,0,0,0,0,2|2,0,0]=4 9209 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,0,0,0,0,2|2,0,0]=4 9210 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [0,0,0,0,0,2|2,0,0]=4 9211 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [0,0,0,0,0,2|2,0,0]=4 9212 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [0,0,0,0,0,2|2,0,0]=4 9213 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [0,0,0,0,0,2|2,0,0]=4 9214 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000076356_100000695589 [0,0,0,0,0,2|2,0,0]=4 9215 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000695589_100000076356 [0,0,0,0,0,2|2,0,0]=4 9216 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [0,0,0,0,0,2|2,0,0]=4 9217 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [0,0,0,0,0,2|2,0,0]=4 9218 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000076356_100000764095 [0,0,0,0,0,2|2,0,0]=4 9219 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000764095_100000076356 [0,0,0,0,0,2|2,0,0]=4 9220 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100000076356_100011215700 [0,0,0,0,0,2|2,0,0]=4 9221 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100011215700_100000076356 [0,0,0,0,0,2|2,0,0]=4 9222 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000076356_100000210017 [0,0,0,0,0,2|2,0,0]=4 9223 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000210017_100000076356 [0,0,0,0,0,2|2,0,0]=4 9224 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000076356_100000739446 [0,0,0,0,0,2|1,0,0]=3 9225 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000739446_100000076356 [0,0,0,0,0,2|1,0,0]=3 9226 B13R1.158 CC(=O)OCSc1cccnc1O 62a_100000076356_100000760158 [0,0,0,0,0,2|2,0,0]=4 9227 B13R1.158 CC(=O)OCSc1cccnc1O 62a_100000760158_100000076356 [0,0,0,0,0,2|2,0,0]=4 9228 B13R1.158 CC(=O)OCSc1ccncc1O 62a_100000076356_100009817591 [0,0,0,0,0,2|2,0,0]=4 9229 B13R1.158 CC(=O)OCSc1ccncc1O 62a_100009817591_100000076356 [0,0,0,0,0,2|2,0,0]=4 9230 B13R1.158 CC(=O)OCSc1ncccc1O 62a_100000034122_100000076356 [0,0,0,0,0,2|2,0,0]=4 9231 B13R1.158 CC(=O)OCSc1ncccc1O 62a_100000076356_100000034122 [0,0,0,0,0,2|2,0,0]=4 9232 B13R1.158 CC(C)CCNc1ccccc1O 34a_100000185747_100000210312 [0,0,0,0,0,2|1,0,1]=4 9233 B13R1.158 CC(C)CNCc1ccccc1O 270004a_100000185550_100000210432 [0,0,0,0,0,2|1,0,1]=4 9234 B13R1.158 CC(C)CNCc1ccccc1O 34a_100000185550_100000210624 [0,0,0,0,0,2|1,0,1]=4 9235 B13R1.158 CC(C)NCCc1ccccc1O 34a_100011207237_100000210206 [0,0,0,0,0,2|1,0,1]=4 9236 B13R1.158 CC(C)NCCc1ccccc1O 34a_100138425928_100000722297 [0,0,0,0,0,2|1,0,1]=4 9237 B13R1.158 CC(C)NN=Cc1ccccc1O 4a_100000741168_100000185834 [0,0,0,0,0,2|1,0,1]=4 9238 B13R1.158 CC(C)OCNc1ccccc1O 34a_100000185747_100000709892 [0,0,0,0,0,2|1,0,1]=4 9239 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,0,0,0,0,2|0,0,2]=4 9240 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,0,0,0,0,2|0,0,2]=4 9241 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,0,0,0,0,2|0,0,2]=4 9242 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [0,0,0,0,0,2|2,0,0]=4 9243 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [0,0,0,0,0,2|2,0,0]=4 9244 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,0,0,0,0,2|2,0,0]=4 9245 B13R1.158 Cc1ccccc1CNCC(=O)[O-] 34a_100000174972_100020667443 [0,0,0,0,0,2|2,0,0]=4 9246 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,0,0,0,0,2|2,0,0]=4 9247 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [0,0,0,0,0,2|2,0,0]=4 9248 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,0,0,0,0,2|2,0,0]=4 9249 B13R1.158 NC(=O)CCNc1ccccc1Br 34a_100000210017_100000731001 [0,0,0,0,0,2|2,0,0]=4 9250 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [0,0,0,0,0,2|2,0,0]=4 9251 B13R1.158 NC(=O)CCNc1ccccc1F 34a_100000210422_100000731001 [0,0,0,0,0,2|2,0,0]=4 9252 B13R1.158 NC(=O)CCNc1ccccc1I 34a_100000210053_100000731001 [0,0,0,0,0,2|2,0,0]=4 9253 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [0,0,0,0,0,2|1,0,0]=3 9254 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [0,0,0,0,0,2|2,0,0]=4 9255 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [0,0,0,0,0,2|2,0,0]=4 9256 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747473 [0,0,0,0,0,2|2,0,0]=4 9257 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000711301_100000184730 [0,0,0,0,0,2|2,0,0]=4 9258 B13R1.158 NC(=O)CNCc1ccccc1Br 34a_100000689332_100000187820 [0,0,0,0,0,2|2,0,0]=4 9259 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [0,0,0,0,0,2|2,0,0]=4 9260 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [0,0,0,0,0,2|2,0,0]=4 9261 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [0,0,0,0,0,2|2,0,0]=4 9262 B13R1.158 NC(=O)CNCc1ccccc1F 2230a_100000711301_100000211605 [0,0,0,0,0,2|2,0,0]=4 9263 B13R1.158 NC(=O)CNCc1ccccc1F 34a_100000174869_100000187820 [0,0,0,0,0,2|2,0,0]=4 9264 B13R1.158 NC(=O)CNCc1ccccc1I 2230a_100000711301_100011215278 [0,0,0,0,0,2|2,0,0]=4 9265 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [0,0,0,0,0,2|1,0,0]=3 9266 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,0,0,0,0,2|2,0,0]=4 9267 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,0,0,0,0,2|2,0,0]=4 9268 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,0,0,0,0,2|2,0,0]=4 9269 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,0,0,0,0,2|2,0,0]=4 9270 B13R1.158 O=C(O)CNCc1ncccc1O 269956a_100016091260_200020655725 [0,0,0,0,0,2|2,0,0]=4 9271 B13R1.158 O=C([O-])CNCc1ccccc1Br 34a_100000689332_100020667443 [0,0,0,0,0,2|2,0,0]=4 9272 B13R1.158 O=C([O-])CNCc1ccccc1Cl 34a_100000174879_100020667443 [0,0,0,0,0,2|2,0,0]=4 9273 B13R1.158 O=C([O-])CNCc1ccccc1F 34a_100000174869_100020667443 [0,0,0,0,0,2|2,0,0]=4 9274 B13R1.158 O=C([O-])CNCc1ccccc1O 34a_100000185550_100020667443 [0,0,0,0,0,2|1,0,0]=3 9275 B13R1.158 O=[N+]([O-])CNCc1ccccc1O 34a_100000185550_100000761209 [0,0,0,0,0,2|2,0,0]=4 9276 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,0,0,0,0,2|2,0,0]=4 9277 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,0,0,0,0,2|1,0,0]=3 9278 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,0,0,0,0,2|2,0,0]=4 9279 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,0,0,0,0,2|2,0,0]=4 9280 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,0,0,0,0,2|2,0,0]=4 9281 B13R1.158 [13CH3]C(=O)CCSc1ccccc1F 1458a_100000208832_200025704644 [0,0,0,0,0,2|2,0,0]=4 9282 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,0,0,0,0,2|2,0,0]=4 9283 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,0,0,0,0,2|2,0,0]=4