0 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [1,0,0,0,0,0|3,0,0]=4 2 B14R2.7724 Cn1cc(c2ccccc2c1=O)O 271570a_203496583355_100000239302 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.8682 C=Cc1c(c2ccccc2n(c1=O)C)C 271570a_100011290941_100010739255 [0,1,0,0,0,0|2,0,1]=4 5 B16R2.8682 CSc1c(c2ccccc2n(c1=O)C)C 62a_100010739255_200000210301 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.8682 CSc1c(c2ccccc2n(c1=O)C)C 62a_200000210301_100010739255 [0,1,0,0,0,0|2,0,0]=3 7 B16R2.8682 Cc1c(c(=O)n(c2c1cccc2)C)S[13CH3] 62a_100010739255_200025704644 [0,1,0,0,0,0|2,0,0]=3 8 B16R2.8682 Cc1c(c(=O)n(c2c1cccc2)C)S[13CH3] 62a_200025704644_100010739255 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.85 C/C=C(\C)/C(=O)C(C)c1ccccc1 1458a_100020587367_100000230085 [0,0,1,0,0,0|1,0,1]=3 10 B14R1.85 C/C=C(\C)/C(=O)N(C)c1ccccc1 11a_100000210012_100020587367 [0,0,1,0,0,0|2,0,0]=3 11 B14R1.85 C/C=C(\C)/C(=O)N(C)c1ccccc1 1626a_100000210012_100020587367 [0,0,1,0,0,0|2,0,0]=3 12 B14R1.85 C/C=C(\C)/C(=O)N(C)c1ccccc1 22a_100000210012_100020587367 [0,0,1,0,0,0|2,0,0]=3 13 B14R1.136 C=CCNc1cc(c(c(c1C)C)C)C 2230a_200000123625_100000210623 [0,0,1,0,0,0|1,0,1]=3 14 B14R1.136 C=CCNc1cc(c(c(c1C)C)C)C 34a_200000123625_100015514636 [0,0,1,0,0,0|1,0,1]=3 15 B14R1.136 C=CCNc1cc(c(c(c1C)C)C)C 7a_200000123625_100015514636 [0,0,1,0,0,0|1,0,1]=3 16 B14R1.136 C=CCOc1cc(c(c(c1C)C)Br)C 34a_100000730119_100015514636 [0,0,1,0,0,0|2,0,1]=4 17 B14R1.136 C=CCOc1cc(c(c(c1C)C)Br)C 7a_100000730119_100015514636 [0,0,1,0,0,0|2,0,1]=4 18 B14R1.136 C=CCSc1cc(c(c(c1C)C)O)C 62a_100000210623_200012339818 [0,0,1,0,0,0|2,0,1]=4 19 B14R1.136 C=CCSc1cc(c(c(c1C)C)O)C 62a_200012339818_100000210623 [0,0,1,0,0,0|2,0,1]=4 20 B14R1.136 Cc1cc(c(c(c1C)C)C)NCC=O 2230a_200000123625_200015260668 [0,0,1,0,0,0|2,0,1]=4 21 B14R1.136 Cc1cc(c(c(c1C)C)C)NCC=O 34a_200000123625_200009817547 [0,0,1,0,0,0|2,0,1]=4 22 B14R1.136 Cc1cc(c(c(c1C)C)C)NCC=O 7a_200000123625_200015260668 [0,0,1,0,0,0|2,0,1]=4 23 B14R1.5287 C=C=Cc1c(c(c(c(c1C)C)C)C)C 271570a_100015277604_100011216232 [0,0,1,0,0,0|0,0,2]=3 24 B14R1.5287 C=C=Cc1c(c(c(c(c1C)C)N)C)C 271570a_100015277604_100010204179 [0,0,1,0,0,0|1,0,2]=4 25 B14R1.5287 CC=Cc1c(c(c(c(c1C)C)C)C)C 271570a_100016259895_100011216232 [0,0,1,0,0,0|0,0,2]=3 26 B14R1.5287 CC=Cc1c(c(c(c(c1C)C)N)C)C 271570a_100016259895_100010204179 [0,0,1,0,0,0|1,0,2]=4 27 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [1,0,1,0,0,0|1,0,1]=4 28 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [1,0,1,0,0,0|2,0,0]=4 29 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [1,0,1,0,0,0|2,0,0]=4 30 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [1,0,1,0,0,0|2,0,0]=4 31 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [1,0,1,0,0,0|2,0,0]=4 32 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [1,0,1,0,0,0|1,0,1]=4 33 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [1,0,1,0,0,0|2,0,0]=4 34 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [1,0,1,0,0,0|2,0,0]=4 35 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [1,0,1,0,0,0|2,0,0]=4 36 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [1,0,1,0,0,0|1,0,1]=4 37 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [1,0,1,0,0,0|2,0,0]=4 38 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [1,0,1,0,0,0|2,0,0]=4 39 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [1,0,1,0,0,0|2,0,0]=4 40 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [1,0,1,0,0,0|1,0,1]=4 41 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [1,0,1,0,0,0|2,0,0]=4 42 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [1,0,1,0,0,0|2,0,0]=4 43 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [1,0,1,0,0,0|2,0,0]=4 44 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [1,0,1,0,0,0|1,0,1]=4 45 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [1,0,1,0,0,0|2,0,0]=4 46 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [1,0,1,0,0,0|2,0,0]=4 47 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [1,0,1,0,0,0|2,0,0]=4 48 B13R1.89 CC(=C(C)c1ccccc1C#N)C 271570a_200000049429_100000188569 [1,0,1,0,0,0|1,0,1]=4 49 B13R1.89 CC(=C(C)c1ccccc1C=O)C 271570a_200000049429_100000211189 [1,0,1,0,0,0|1,0,0]=3 50 B13R1.89 CC(=C(C)c1ccccc1CN)C 271570a_200000049429_100000689332 [1,0,1,0,0,0|1,0,1]=4 51 B13R1.89 CC(=C(C)c1ccccc1CO)C 271570a_200000049429_100000187465 [1,0,1,0,0,0|1,0,1]=4 52 B13R1.89 CC(=C(C)c1ccccc1NN)C 271570a_200000049429_100000241748 [1,0,1,0,0,0|2,0,0]=4 53 B13R1.89 CC(=C(C)c1cccnc1C=O)C 271570a_200000049429_100011934733 [1,0,1,0,0,0|2,0,0]=4 54 B13R1.89 CC(=C(C)c1ccncc1C=O)C 271570a_200000049429_100000050567 [1,0,1,0,0,0|2,0,0]=4 55 B13R1.89 CC(=C(C)c1cnccc1C=O)C 271570a_200000049429_100011934409 [1,0,1,0,0,0|2,0,0]=4 56 B13R1.89 CC(=C(C)c1ncccc1C=O)C 271570a_200000049429_100009816751 [1,0,1,0,0,0|2,0,0]=4 57 B13R1.89 CCc1ccccc1C(=C(C)C)C 271570a_200000049429_100011215823 [1,0,1,0,0,0|0,0,1]=3 58 B13R1.89 CCc1ccncc1C(=C(C)C)C 271570a_200000049429_100009819861 [1,0,1,0,0,0|1,0,1]=4 59 B13R1.89 CCc1cnccc1C(=C(C)C)C 271570a_200000049429_100025704421 [1,0,1,0,0,0|1,0,1]=4 60 B13R1.89 CCc1ncccc1C(=C(C)C)C 271570a_200000049429_100009877225 [1,0,1,0,0,0|1,0,1]=4 61 B13R1.89 CNc1ccccc1C(=C(C)C)C 271570a_200000049429_100020606079 [1,0,1,0,0,0|1,0,0]=3 62 B13R1.89 CNc1cccnc1C(=C(C)C)C 271570a_200000049429_200011806188 [1,0,1,0,0,0|2,0,0]=4 63 B13R1.89 CNc1ccncc1C(=C(C)C)C 271570a_200000049429_100010069531 [1,0,1,0,0,0|2,0,0]=4 64 B13R1.89 CNc1ncccc1C(=C(C)C)C 271570a_200000049429_100000700899 [1,0,1,0,0,0|2,0,0]=4 65 B13R1.89 COc1ccccc1C(=C(C)C)C 271570a_200000049429_100000174000 [1,0,1,0,0,0|1,0,0]=3 66 B13R1.89 COc1cccnc1C(=C(C)C)C 271570a_200000049429_100000690851 [1,0,1,0,0,0|2,0,0]=4 67 B13R1.89 COc1ccncc1C(=C(C)C)C 271570a_200000049429_100011997281 [1,0,1,0,0,0|2,0,0]=4 68 B13R1.89 COc1cnccc1C(=C(C)C)C 271570a_200000049429_100016988167 [1,0,1,0,0,0|2,0,0]=4 69 B13R1.89 COc1ncccc1C(=C(C)C)C 271570a_200000049429_100000047025 [1,0,1,0,0,0|2,0,0]=4 70 B13R1.89 CSc1ccccc1C(=C(C)C)C 271570a_200000049429_100011217816 [1,0,1,0,0,0|1,0,0]=3 71 B13R1.89 CSc1ncccc1C(=C(C)C)C 271570a_200000049429_100011465278 [1,0,1,0,0,0|2,0,0]=4 72 B13R1.32 C=C=Cc1cc(c(c(c1C)C)O)C 271570a_100015277604_200012339818 [1,0,1,0,0,0|1,0,1]=4 73 B13R1.32 CC=Cc1cc(c(c(c1C)C)O)C 271570a_100016259895_200012339818 [1,0,1,0,0,0|1,0,1]=4 74 B13R1.123 C=CCNc1cc(cc(c1C)C)C 2230a_100000035412_100000210623 [1,0,1,0,0,0|1,0,1]=4 75 B13R1.123 C=CCNc1cc(cc(c1C)C)C 34a_100000035412_100015514636 [1,0,1,0,0,0|1,0,1]=4 76 B13R1.123 C=CCNc1cc(cc(c1C)C)C 7a_100000035412_100015514636 [1,0,1,0,0,0|1,0,1]=4 77 B13R1.123 C=CCOc1cc(cc(c1C)C)C 34a_100000230004_100015514636 [1,0,1,0,0,0|1,0,1]=4 78 B13R1.123 C=CCOc1cc(cc(c1C)C)C 7a_100000230004_100015514636 [1,0,1,0,0,0|1,0,1]=4 79 B13R1.136 C=CCNc1cc(c(c(c1)C)C)C 2230a_100000074974_100000210623 [1,0,1,0,0,0|1,0,1]=4 80 B13R1.136 C=CCNc1cc(c(c(c1)C)C)C 34a_100000074974_100015514636 [1,0,1,0,0,0|1,0,1]=4 81 B13R1.136 C=CCNc1cc(c(c(c1)C)C)C 7a_100000074974_100015514636 [1,0,1,0,0,0|1,0,1]=4 82 B13R1.136 C=CCOc1cc(c(c(c1)C)C)C 34a_200000042890_100015514636 [1,0,1,0,0,0|1,0,1]=4 83 B13R1.136 C=CCOc1cc(c(c(c1)C)C)C 7a_200000042890_100015514636 [1,0,1,0,0,0|1,0,1]=4 84 B13R1.136 C=CCSc1cc(c(c(c1)C)C)C 62a_100000210623_200011015895 [1,0,1,0,0,0|1,0,1]=4 85 B13R1.136 C=CCSc1cc(c(c(c1)C)C)C 62a_200011015895_100000210623 [1,0,1,0,0,0|1,0,1]=4 86 B13R1.1630 C=CCNc1cc(c(cc1C)C)C 2230a_100011217141_100000210623 [1,0,1,0,0,0|1,0,1]=4 87 B13R1.1630 C=CCNc1cc(c(cc1C)C)C 34a_100011217141_100015514636 [1,0,1,0,0,0|1,0,1]=4 88 B13R1.1630 C=CCNc1cc(c(cc1C)C)C 7a_100011217141_100015514636 [1,0,1,0,0,0|1,0,1]=4 89 B13R1.1630 C=CCOc1cc(c(cc1C)C)C 34a_200000047129_100015514636 [1,0,1,0,0,0|1,0,1]=4 90 B13R1.1630 C=CCOc1cc(c(cc1C)C)C 7a_200000047129_100015514636 [1,0,1,0,0,0|1,0,1]=4 91 B13R1.1630 C=CCSc1cc(c(cc1C)C)C 62a_100000210623_100000759388 [1,0,1,0,0,0|1,0,1]=4 92 B13R1.1630 C=CCSc1cc(c(cc1C)C)C 62a_100000759388_100000210623 [1,0,1,0,0,0|1,0,1]=4 93 B13R1.3518 C=CCNc1ccc(c(c1C)C)C 2230a_100000116900_100000210623 [1,0,1,0,0,0|1,0,1]=4 94 B13R1.3518 C=CCNc1ccc(c(c1C)C)C 34a_100000116900_100015514636 [1,0,1,0,0,0|1,0,1]=4 95 B13R1.3518 C=CCNc1ccc(c(c1C)C)C 7a_100000116900_100015514636 [1,0,1,0,0,0|1,0,1]=4 96 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [1,0,1,0,0,0|2,0,0]=4 97 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [1,0,1,0,0,0|2,0,0]=4 98 B13R1.382 CC=Cc1ccccc1C(C)NC 271570a_100016259895_100000692418 [1,0,1,0,0,0|1,0,1]=4 99 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [1,0,1,0,0,0|2,0,0]=4 100 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [1,0,1,0,0,0|2,0,0]=4 101 B13R1.547 C=C(C)c1ccccc1C(C)NC 271570a_100000694244_100000692418 [1,0,1,0,0,0|1,0,1]=4 102 B13R1.3251 C=Cc1c(c(c(c(c1C)C)C)C)C 271570a_100011290941_100011216232 [1,0,1,0,0,0|0,0,1]=3 103 B13R1.3251 C=Cc1c(c(c(c(c1C)C)N)C)C 271570a_100011290941_100010204179 [1,0,1,0,0,0|1,0,1]=4 104 B13R1.3973 C=C=Cc1c(c(cc(c1C)C)C)C 271570a_100015277604_100011215432 [1,0,1,0,0,0|0,0,2]=4 105 B13R1.3973 CC=Cc1c(c(cc(c1C)C)C)C 271570a_100016259895_100011215432 [1,0,1,0,0,0|0,0,2]=4 106 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [2,0,0,0,0,0|1,0,0]=3 107 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [2,0,0,0,0,0|2,0,0]=4 108 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [2,0,0,0,0,0|2,0,0]=4 109 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [2,0,0,0,0,0|1,0,0]=3 110 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [2,0,0,0,0,0|2,0,0]=4 111 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [2,0,0,0,0,0|2,0,0]=4 112 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [2,0,0,0,0,0|2,0,0]=4 113 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [2,0,0,0,0,0|2,0,0]=4 114 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [2,0,0,0,0,0|2,0,0]=4 115 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [2,0,0,0,0,0|2,0,0]=4 116 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [2,0,0,0,0,0|2,0,0]=4 117 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [2,0,0,0,0,0|2,0,0]=4 118 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [2,0,0,0,0,0|2,0,0]=4 119 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [2,0,0,0,0,0|2,0,0]=4 120 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [2,0,0,0,0,0|2,0,0]=4 121 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [2,0,0,0,0,0|2,0,0]=4 122 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [2,0,0,0,0,0|2,0,0]=4 123 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [2,0,0,0,0,0|2,0,0]=4 124 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [2,0,0,0,0,0|2,0,0]=4 125 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [2,0,0,0,0,0|2,0,0]=4 126 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [2,0,0,0,0,0|2,0,0]=4 127 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [2,0,0,0,0,0|2,0,0]=4 128 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [2,0,0,0,0,0|1,0,0]=3 129 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [2,0,0,0,0,0|2,0,0]=4 130 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [2,0,0,0,0,0|2,0,0]=4 131 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [2,0,0,0,0,0|2,0,0]=4 132 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [2,0,0,0,0,0|2,0,0]=4 133 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [2,0,0,0,0,0|2,0,0]=4 134 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [2,0,0,0,0,0|2,0,0]=4 135 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [2,0,0,0,0,0|2,0,0]=4 136 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [2,0,0,0,0,0|2,0,0]=4 137 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [2,0,0,0,0,0|2,0,0]=4 138 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [2,0,0,0,0,0|2,0,0]=4 139 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [2,0,0,0,0,0|2,0,0]=4 140 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [2,0,0,0,0,0|2,0,0]=4 141 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [2,0,0,0,0,0|2,0,0]=4 142 B15R1.75 C/C=C(\C)/C(=O)C(C)c1ccc(cc1)Br 1458a_100020587367_100000755118 [0,1,1,0,0,0|1,0,1]=4 143 B15R1.75 C/C=C(\C)/C(=O)C(C)c1ccc(cc1)C 1458a_100020587367_100011261388 [0,1,1,0,0,0|1,0,1]=4 144 B15R1.75 C/C=C(\C)/C(=O)C(C)c1ccc(cc1)Cl 1458a_100020587367_100000684792 [0,1,1,0,0,0|1,0,1]=4 145 B15R1.75 C/C=C(\C)/C(=O)C(C)c1ccc(cc1)F 1458a_100020587367_100000743420 [0,1,1,0,0,0|1,0,1]=4 146 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100020587367 [0,1,1,0,0,0|2,0,0]=4 147 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100020587367 [0,1,1,0,0,0|2,0,0]=4 148 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100020587367 [0,1,1,0,0,0|2,0,0]=4 149 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)C 11a_100000219977_100020587367 [0,1,1,0,0,0|2,0,0]=4 150 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100020587367 [0,1,1,0,0,0|2,0,0]=4 151 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)C 22a_100000219977_100020587367 [0,1,1,0,0,0|2,0,0]=4 152 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100020587367 [0,1,1,0,0,0|2,0,0]=4 153 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100020587367 [0,1,1,0,0,0|2,0,0]=4 154 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100020587367 [0,1,1,0,0,0|2,0,0]=4 155 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)F 11a_100000219829_100020587367 [0,1,1,0,0,0|2,0,0]=4 156 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100020587367 [0,1,1,0,0,0|2,0,0]=4 157 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)F 22a_100000219829_100020587367 [0,1,1,0,0,0|2,0,0]=4 158 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)I 11a_100000743151_100020587367 [0,1,1,0,0,0|2,0,0]=4 159 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100020587367 [0,1,1,0,0,0|2,0,0]=4 160 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)I 22a_100000743151_100020587367 [0,1,1,0,0,0|2,0,0]=4 161 B15R1.75 C/C=C(\C)/C(=O)N(C)c1ccc(cc1)O 22a_100000182112_100020587367 [0,1,1,0,0,0|2,0,0]=4 162 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)Br 11a_100000219648_100020587367 [0,1,1,0,0,0|2,0,0]=4 163 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100020587367 [0,1,1,0,0,0|2,0,0]=4 164 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)Br 22a_100000219648_100020587367 [0,1,1,0,0,0|2,0,0]=4 165 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)C 11a_100000219674_100020587367 [0,1,1,0,0,0|2,0,0]=4 166 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)C 1626a_100000219674_100020587367 [0,1,1,0,0,0|2,0,0]=4 167 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)C 22a_100000219674_100020587367 [0,1,1,0,0,0|2,0,0]=4 168 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100020587367 [0,1,1,0,0,0|2,0,0]=4 169 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100020587367 [0,1,1,0,0,0|2,0,0]=4 170 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100020587367 [0,1,1,0,0,0|2,0,0]=4 171 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)F 11a_100020633736_100020587367 [0,1,1,0,0,0|2,0,0]=4 172 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)F 1626a_100020633736_100020587367 [0,1,1,0,0,0|2,0,0]=4 173 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)F 22a_100020633736_100020587367 [0,1,1,0,0,0|2,0,0]=4 174 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)I 11a_100000221217_100020587367 [0,1,1,0,0,0|2,0,0]=4 175 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)I 1626a_100000221217_100020587367 [0,1,1,0,0,0|2,0,0]=4 176 B15R1.76 C/C=C(\C)/C(=O)N(C)c1cccc(c1)I 22a_100000221217_100020587367 [0,1,1,0,0,0|2,0,0]=4 177 B15R1.578 CC/C=C(\C)/C(=O)C(C)c1ccccc1 1458a_100016988807_100000230085 [0,1,1,0,0,0|1,0,1]=4 178 B15R1.578 CC/C=C(\C)/C(=O)N(C)c1ccccc1 11a_100000210012_100016988807 [0,1,1,0,0,0|2,0,0]=4 179 B15R1.578 CC/C=C(\C)/C(=O)N(C)c1ccccc1 1626a_100000210012_100016988807 [0,1,1,0,0,0|2,0,0]=4 180 B15R1.578 CC/C=C(\C)/C(=O)N(C)c1ccccc1 22a_100000210012_100016988807 [0,1,1,0,0,0|2,0,0]=4 181 B15R1.1326 C/C=C(\C)/C(=O)C(C)(C)c1ccccc1 1458a_100020587367_100000034625 [0,1,1,0,0,0|1,0,1]=4 182 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 11a_100000210013_100020587367 [0,1,1,0,0,0|2,0,0]=4 183 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 1626a_100000210013_100020587367 [0,1,1,0,0,0|2,0,0]=4 184 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 22a_100000210013_100020587367 [0,1,1,0,0,0|2,0,0]=4 185 B15R1.4434 C/C=C(\C)/C(=O)C(C)c1ccccc1Cl 1458a_100020587367_100000181259 [0,1,1,0,0,0|1,0,1]=4 186 B15R1.4434 C/C=C(\C)/C(=O)C(C)c1ccccc1F 1458a_100020587367_200000741388 [0,1,1,0,0,0|1,0,1]=4 187 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1Br 11a_100020606079_100020587367 [0,1,1,0,0,0|2,0,0]=4 188 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1Br 1626a_100020606079_100020587367 [0,1,1,0,0,0|2,0,0]=4 189 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1C 11a_100000219699_100020587367 [0,1,1,0,0,0|2,0,0]=4 190 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1C 1626a_100000219699_100020587367 [0,1,1,0,0,0|2,0,0]=4 191 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1C 22a_100000219699_100020587367 [0,1,1,0,0,0|2,0,0]=4 192 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1Cl 11a_100000219374_100020587367 [0,1,1,0,0,0|2,0,0]=4 193 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1Cl 1626a_100000219374_100020587367 [0,1,1,0,0,0|2,0,0]=4 194 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1F 11a_100000220357_100020587367 [0,1,1,0,0,0|2,0,0]=4 195 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1F 1626a_100000220357_100020587367 [0,1,1,0,0,0|2,0,0]=4 196 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1F 22a_100000220357_100020587367 [0,1,1,0,0,0|2,0,0]=4 197 B15R1.4434 C/C=C(\C)/C(=O)N(C)c1ccccc1O 22a_100000033821_100020587367 [0,1,1,0,0,0|2,0,0]=4 198 B15R1.50 C/C=C/CNc1cc(c(c(c1C)C)C)C 34a_200000123625_100102629194 [0,1,1,0,0,0|0,0,2]=4 199 B15R1.50 C/C=C/CNc1cc(c(c(c1C)C)C)C 7a_200000123625_100102629194 [0,1,1,0,0,0|0,0,2]=4 200 B15R1.50 C=CCCNc1cc(c(c(c1C)C)C)C 2230a_200000123625_100000754431 [0,1,1,0,0,0|0,0,2]=4 201 B15R1.50 C=CCCNc1cc(c(c(c1C)C)C)C 34a_200000123625_100000754431 [0,1,1,0,0,0|0,0,2]=4 202 B15R1.50 C=CCCNc1cc(c(c(c1C)C)C)C 7a_200000123625_100000754431 [0,1,1,0,0,0|0,0,2]=4 203 B15R1.50 CC=CCNc1cc(c(c(c1C)C)C)C 2230a_200000123625_100000070051 [0,1,1,0,0,0|0,0,2]=4 204 B15R1.50 CC=CCNc1cc(c(c(c1C)C)C)C 34a_200000123625_100000070051 [0,1,1,0,0,0|0,0,2]=4 205 B15R1.50 CC=CCNc1cc(c(c(c1C)C)C)C 7a_200000123625_100000070051 [0,1,1,0,0,0|0,0,2]=4 206 B15R1.928 C=CC(=O)Nc1cc(c(c(c1C)C)C)C 1626a_200000123625_100000185746 [0,1,1,0,0,0|1,0,0]=3 207 B15R1.928 C=CC(=O)Nc1cc(c(c(c1C)C)C)C 22a_200000123625_100000185746 [0,1,1,0,0,0|1,0,0]=3 208 B15R1.3537 C=C(C)CNc1cc(c(c(c1C)C)C)C 2230a_200000123625_100000748629 [0,1,1,0,0,0|1,0,1]=4 209 B15R1.3537 C=C(C)CNc1cc(c(c(c1C)C)C)C 34a_200000123625_100000748629 [0,1,1,0,0,0|1,0,1]=4 210 B15R1.3537 C=C(C)CNc1cc(c(c(c1C)C)C)C 7a_200000123625_100000748629 [0,1,1,0,0,0|1,0,1]=4 211 B15R1.3537 C=C(F)CNc1cc(c(c(c1C)C)C)C 2230a_200000123625_100009893438 [0,1,1,0,0,0|1,0,1]=4 212 B15R1.3537 C=C(F)CNc1cc(c(c(c1C)C)C)C 34a_200000123625_100009893438 [0,1,1,0,0,0|1,0,1]=4 213 B15R1.3537 C=C(F)CNc1cc(c(c(c1C)C)C)C 7a_200000123625_100000042424 [0,1,1,0,0,0|1,0,1]=4 214 B15R1.10937 C=CCSc1c(c(c(c(c1C)C)C)C)C 62a_100000210623_100011216232 [0,1,1,0,0,0|1,0,1]=4 215 B15R1.10937 C=CCSc1c(c(c(c(c1C)C)C)C)C 62a_100011216232_100000210623 [0,1,1,0,0,0|1,0,1]=4 216 B15R1.984 CNC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000155073 [0,1,1,0,0,0|2,0,0]=4 217 B15R1.984 CNC(C)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000692418 [0,1,1,0,0,0|1,0,1]=4 218 B15R1.984 COC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000148710 [0,1,1,0,0,0|2,0,0]=4 219 B15R1.60816 CC(=Cc1c(c(c(c(c1C)C)C)C)C)C 271570a_100102525489_100011216232 [0,1,1,0,0,0|0,0,2]=4 220 B15R2.6124 CNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_200000210301 [1,1,0,0,0,0|2,0,0]=4 221 B15R2.6124 CNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200000210301 [1,1,0,0,0,0|2,0,0]=4 222 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200000210301 [1,1,0,0,0,0|2,0,0]=4 223 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200000210301 [1,1,0,0,0,0|2,0,0]=4 224 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_200025704644 [1,1,0,0,0,0|2,0,0]=4 225 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200025704644 [1,1,0,0,0,0|2,0,0]=4 226 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200025704644 [1,1,0,0,0,0|2,0,0]=4 227 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200025704644 [1,1,0,0,0,0|2,0,0]=4 228 B15R2.21211 CNc1cc(=O)n(c2c1cccc2)C 27a_100102657272_100000041018 [1,1,0,0,0,0|2,0,0]=4 229 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_100010246319_200000210301 [1,1,0,0,0,0|2,0,0]=4 230 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_200000210301_100000041018 [1,1,0,0,0,0|2,0,0]=4 231 B15R2.21211 CSc1cn(c(=O)c2c1cccc2)C 62a_100000239302_200000210301 [1,1,0,0,0,0|2,0,0]=4 232 B15R2.21211 CSc1cn(c(=O)c2c1cccc2)C 62a_200000210301_100000239302 [1,1,0,0,0,0|2,0,0]=4 233 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_100010246319_200025704644 [1,1,0,0,0,0|2,0,0]=4 234 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_200025704644_100000041018 [1,1,0,0,0,0|2,0,0]=4 235 B15R2.21211 Cn1cc(c2ccccc2c1=O)S[13CH3] 62a_100000239302_200025704644 [1,1,0,0,0,0|2,0,0]=4 236 B15R2.21211 Cn1cc(c2ccccc2c1=O)S[13CH3] 62a_200025704644_100000239302 [1,1,0,0,0,0|2,0,0]=4 237 B15R2.274 CSc1c(nc2ccccc2c1C)O 62a_200000210301_100009820873 [1,1,0,0,0,0|2,0,0]=4 238 B15R2.274 Cc1c(c(nc2c1cccc2)O)S[13CH3] 62a_200025704644_100009820873 [1,1,0,0,0,0|2,0,0]=4 239 B17R2.76787 CC=Cc1c(c2ccccc2n(c1=O)C)C 271570a_100016259895_100010739255 [0,2,0,0,0,0|2,0,0]=4 240 B17R2.76787 CCSc1c(c2ccccc2n(c1=O)C)C 62a_100000210202_100010739255 [0,2,0,0,0,0|2,0,0]=4 241 B17R2.76787 CCSc1c(c2ccccc2n(c1=O)C)C 62a_100010739255_100000210202 [0,2,0,0,0,0|2,0,0]=4 242 B17R2.76787 Cc1c(c(=O)n(c2c1cccc2)C)SCF 62a_100010739255_100015361967 [0,2,0,0,0,0|2,0,0]=4 243 B17R2.76787 Cc1c(c(=O)n(c2c1cccc2)C)SCF 62a_100015361967_100010739255 [0,2,0,0,0,0|2,0,0]=4 244 B17R2.155690 C=C(C)c1c(c2ccccc2n(c1=O)C)C 271570a_100000694244_100010739255 [0,2,0,0,0,0|2,0,0]=4 245 B15R2.32 Cc1cccc(c1C)c2ccccc2 271570a_100000760475_100000210277 [0,0,1,1,0,0|0,0,2]=4 246 B15R2.32 Cc1cccc(c1C)c2ccccc2 271570a_100011218836_100011214922 [0,0,1,1,0,0|0,0,2]=4 247 B15R2.32 Cc1ccnc(c1C)c2ccccc2 271570a_100011218836_100009847204 [0,0,1,1,0,0|1,0,1]=4 248 B15R2.32 Cc1cncc(c1C)c2ccccc2 271570a_100011218836_100009864703 [0,0,1,1,0,0|1,0,1]=4 249 B15R2.321 Cc1sc(c(c1O)C)c2ccccc2 271570a_203496583355_200010188721 [0,0,1,1,0,0|2,0,0]=4 250 B15R2.1592 CCC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_100000210202 [0,0,1,1,0,0|1,0,1]=4 251 B15R2.1592 CNC(=O)C1=C(c2ccccc2C1)C 11a_106832991635_200000242466 [0,0,1,1,0,0|2,0,0]=4 252 B15R2.1592 CNC(=O)C1=C(c2ccccc2C1)C 1626a_100102657272_200000242466 [0,0,1,1,0,0|2,0,0]=4 253 B15R2.1592 CNC(=O)C1=C(c2ccccc2C1)C 240690a_100102657272_200000242466 [0,0,1,1,0,0|2,0,0]=4 254 B13R2.5393 Cc1cc(c2[nH]ccc2c1O)C 271570a_203496583355_100010244417 [1,0,0,0,1,0|2,0,0]=4 255 B15R1.947 C/C=C(\C)/C(=O)CC(=O)c1ccccc1 1458a_100020587367_100000211460 [0,0,1,0,0,1|2,0,0]=4 256 B15R1.947 C/C=C(\C)/C(=O)CC(C)c1ccccc1 1458a_100020587367_100000756946 [0,0,1,0,0,1|1,0,1]=4 257 B15R1.947 C/C=C(\C)/C(=O)N[C@H](C)c1ccccc1 11a_100000751104_100020587367 [0,0,1,0,0,1|1,0,1]=4 258 B15R1.947 C/C=C(\C)/C(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100020587367 [0,0,1,0,0,1|1,0,1]=4 259 B15R1.947 C/C=C(\C)/C(C)N[C@H](C)c1ccccc1 269862a_100000751104_100020675665 [0,0,1,0,0,1|0,0,2]=4 260 B15R1.973 C/C=C(\C)/C(=O)C(C)Cc1ccccc1 1458a_100020587367_200011218536 [0,0,1,0,0,1|1,0,1]=4 261 B15R1.973 C/C=C(\C)/C(=O)N(C)Cc1ccccc1 11a_100000186898_100020587367 [0,0,1,0,0,1|2,0,0]=4 262 B15R1.973 C/C=C(\C)/C(=O)N(C)Cc1ccccc1 1626a_100000186898_100020587367 [0,0,1,0,0,1|2,0,0]=4 263 B15R1.1147 C/C=C(\C)/C(=O)Cc1ccccc1C=O 1458a_100020587367_200009853537 [0,0,1,0,0,1|2,0,0]=4 264 B15R1.1147 C/C=C(\C)/C(=O)Cc1ccccc1OC 1458a_100020587367_100000210004 [0,0,1,0,0,1|2,0,0]=4 265 B15R1.1147 C/C=C(\C)/C(=O)Cc1ccccc1SC 1458a_100020587367_100000699184 [0,0,1,0,0,1|2,0,0]=4 266 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1CC 11a_100000212081_100020587367 [0,0,1,0,0,1|1,0,1]=4 267 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1CC 1626a_100000212081_100020587367 [0,0,1,0,0,1|1,0,1]=4 268 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1CC 22a_100000212081_100020587367 [0,0,1,0,0,1|1,0,1]=4 269 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1OC 11a_100000210025_100020587367 [0,0,1,0,0,1|2,0,0]=4 270 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1OC 1626a_100000210025_100020587367 [0,0,1,0,0,1|2,0,0]=4 271 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1OC 22a_100000210025_100020587367 [0,0,1,0,0,1|2,0,0]=4 272 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1SC 11a_100000211160_100020587367 [0,0,1,0,0,1|2,0,0]=4 273 B15R1.1147 C/C=C(\C)/C(=O)Nc1ccccc1SC 22a_100000211160_100020587367 [0,0,1,0,0,1|2,0,0]=4 274 B15R1.1147 C=Cc1ccccc1NC(=O)/C(=C/C)/C 11a_100012022501_100020587367 [0,0,1,0,0,1|1,0,1]=4 275 B15R1.1147 C=Cc1ccccc1NC(=O)/C(=C/C)/C 1626a_100012022501_100020587367 [0,0,1,0,0,1|1,0,1]=4 276 B15R1.1147 C=Cc1ccccc1NC(=O)/C(=C/C)/C 22a_100012022501_100020587367 [0,0,1,0,0,1|1,0,1]=4