0 B15R1.311 C#CC(C)(C)NCC(C)c1ccccc1 270004a_100000054563_100000212034 [0,0,0,0,0,0|2,0,1]=3 1 B15R1.311 C#CC(C)(C)NCC(C)c1ccccc1 34a_100000054563_100000756946 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.311 C#CC(C)(C)NCC(C)c1ccccc1 34a_100000701038_100000038118 [0,0,0,0,0,0|2,0,1]=3 3 B15R1.311 C#CC(C)(C)NCC(O)c1ccccc1 34a_100000054563_100000185958 [0,0,0,0,0,0|1,0,1]=2 4 B15R1.311 C#CC(C)(C)NC[C@@H](O)c1ccccc1 34a_100000054563_100011933945 [0,0,0,0,0,0|1,0,1]=2 5 B15R1.311 C#CC(C)(C)OCC(C)c1ccccc1 34a_100000189450_100000756946 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.311 C#CC(C)(C)OCC(C)c1ccccc1 34a_100011215166_100000038118 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.311 C#CC(C)(C)OCC(C)c1ccccc1 7a_100000189450_100000756946 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.311 C#CC(C)(C)OCC(O)c1ccccc1 34a_100000189450_100000185958 [0,0,0,0,0,0|2,0,1]=3 9 B15R1.311 C#CC(C)(C)OCC(O)c1ccccc1 7a_100000189450_100000185958 [0,0,0,0,0,0|2,0,1]=3 10 B15R1.311 C#CC(C)(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000038118 [0,0,0,0,0,0|3,0,1]=4 11 B15R1.311 C#CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100000189450_100011933945 [0,0,0,0,0,0|2,0,1]=3 12 B15R1.311 C#CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100000189450_100011933945 [0,0,0,0,0,0|2,0,1]=3 13 B15R1.311 C#CC(C)(C)SCC(C)c1ccccc1 62a_100000038118_100000756946 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.311 C#CC(C)(C)SCC(C)c1ccccc1 62a_100000756946_100000038118 [0,0,0,0,0,0|3,0,1]=4 15 B15R1.311 C#CC(C)(C)SCC(O)c1ccccc1 62a_100000038118_100000185958 [0,0,0,0,0,0|2,0,1]=3 16 B15R1.311 C#CC(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000038118 [0,0,0,0,0,0|2,0,1]=3 17 B15R1.311 C#CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100000038118_100011933945 [0,0,0,0,0,0|2,0,1]=3 18 B15R1.311 C#CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000038118 [0,0,0,0,0,0|2,0,1]=3 19 B15R1.311 C=CC(C)(C)OCC(C)c1ccccc1 34a_100011215311_100000756946 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.311 C=CC(C)(C)OCC(C)c1ccccc1 7a_100011215311_100000756946 [0,0,0,0,0,0|3,0,1]=4 21 B15R1.311 C=CC(C)(C)OCC(O)c1ccccc1 34a_100011215311_100000185958 [0,0,0,0,0,0|2,0,1]=3 22 B15R1.311 C=CC(C)(C)OCC(O)c1ccccc1 7a_100011215311_100000185958 [0,0,0,0,0,0|2,0,1]=3 23 B15R1.311 C=CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100011215311_100011933945 [0,0,0,0,0,0|2,0,1]=3 24 B15R1.311 C=CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100011215311_100011933945 [0,0,0,0,0,0|2,0,1]=3 25 B15R1.311 CC(C)(C#N)OCC(O)c1ccccc1 34a_200015195151_100000185958 [0,0,0,0,0,0|2,0,1]=3 26 B15R1.311 CC(C)(C#N)OC[C@@H](N)c1ccccc1 34a_100000751927_100011162410 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.311 CC(C)(C#N)OC[C@@H](O)c1ccccc1 34a_200015195151_100011933945 [0,0,0,0,0,0|2,0,1]=3 28 B15R1.311 CC(C)(C#N)SCC(O)c1ccccc1 62a_100000185958_100011162410 [0,0,0,0,0,0|2,0,1]=3 29 B15R1.311 CC(C)(C#N)SCC(O)c1ccccc1 62a_100011162410_100000185958 [0,0,0,0,0,0|2,0,1]=3 30 B15R1.311 CC(C)(C#N)SC[C@@H](O)c1ccccc1 62a_100011162410_100011933945 [0,0,0,0,0,0|2,0,1]=3 31 B15R1.311 CC(C)(C#N)SC[C@@H](O)c1ccccc1 62a_100011933945_100011162410 [0,0,0,0,0,0|2,0,1]=3 32 B15R1.311 CC(C)(CCl)OCC(=O)c1ccccc1 7a_100000764493_100000211460 [0,0,0,0,0,0|2,0,2]=4 33 B15R1.311 CC(C)(CCl)OCC(O)c1ccccc1 7a_100000764493_100000185958 [0,0,0,0,0,0|2,0,0]=2 34 B15R1.311 CC(C)(CCl)OC[C@@H](O)c1ccccc1 7a_100000764493_100011933945 [0,0,0,0,0,0|2,0,0]=2 35 B15R1.311 CC(C)(CO)CNC(=O)c1ccccc1 240690a_100020635058_100000185807 [0,0,0,0,0,0|2,0,2]=4 36 B15R1.311 CC(C)(CO)CNC(=O)c1ccccc1 527a_100020635058_100000185807 [0,0,0,0,0,0|2,0,2]=4 37 B15R1.311 CC(C)(CO)NCC(O)c1ccccc1 2230a_100000210608_100000185958 [0,0,0,0,0,0|0,0,0]=0 38 B15R1.311 CC(C)(CO)NC[C@@H](O)c1ccccc1 2230a_100000210608_100011933945 [0,0,0,0,0,0|0,0,0]=0 39 B15R1.311 CC(CNC(C)(C)C#N)c1ccccc1 34a_100000701038_100011162410 [0,0,0,0,0,0|2,0,1]=3 40 B15R1.311 CC(CNC(C)(C)CO)c1ccccc1 2230a_100000210608_100000756946 [0,0,0,0,0,0|1,0,0]=1 41 B15R1.311 CC(CNC(C)(C)CO)c1ccccc1 270004a_100000210608_100000212034 [0,0,0,0,0,0|1,0,0]=1 42 B15R1.311 CC(COC(C)(C)C#N)c1ccccc1 34a_100011215166_100011162410 [0,0,0,0,0,0|3,0,1]=4 43 B15R1.311 CC(COC(C)(C)C#N)c1ccccc1 34a_200015195151_100000756946 [0,0,0,0,0,0|3,0,1]=4 44 B15R1.311 CC(COC(C)(C)C#N)c1ccccc1 7a_100011215166_100011162410 [0,0,0,0,0,0|3,0,1]=4 45 B15R1.311 CC(COC(C)(C)CCl)c1ccccc1 7a_100000764493_100000756946 [0,0,0,0,0,0|3,0,0]=3 46 B15R1.311 CC(CSC(C)(C)C#N)c1ccccc1 62a_100000756946_100011162410 [0,0,0,0,0,0|3,0,1]=4 47 B15R1.311 CC(CSC(C)(C)C#N)c1ccccc1 62a_100011162410_100000756946 [0,0,0,0,0,0|3,0,1]=4 48 B15R1.311 CC(CSC(F)(F)CO)c1ccccc1 62a_100000756946_100011217949 [0,0,0,0,0,0|4,0,0]=4 49 B15R1.311 CC(CSC(F)(F)CO)c1ccccc1 62a_100011217949_100000756946 [0,0,0,0,0,0|4,0,0]=4 50 B15R1.311 CC(NCC(C)(C)CO)c1ccccc1 2230a_100020635058_100000230085 [0,0,0,0,0,0|3,0,0]=3 51 B15R1.311 CC(NCC(C)(C)CO)c1ccccc1 269862a_100020635058_100000185851 [0,0,0,0,0,0|3,0,0]=3 52 B15R1.311 CC(NCC(C)(C)CO)c1ccccn1 269862a_100020635058_100000210467 [0,0,0,0,0,0|4,0,0]=4 53 B15R1.311 CC(NCC(C)(C)CO)c1cccnc1 269862a_100020635058_100000210468 [0,0,0,0,0,0|4,0,0]=4 54 B15R1.311 CC(NCC(C)(C)CO)c1ccncc1 269862a_100020635058_100000185792 [0,0,0,0,0,0|4,0,0]=4 55 B15R1.311 CC(OCC(C)(C)CCl)c1ccccc1 7a_100011217199_100000230085 [0,0,0,0,0,0|4,0,0]=4 56 B15R1.311 CC(SCC(C)(C)CO)c1ccccc1 62a_100000230085_100009813988 [0,0,0,0,0,0|3,0,0]=3 57 B15R1.311 CC(SCC(C)(C)CO)c1ccccc1 62a_100009813988_100000230085 [0,0,0,0,0,0|3,0,0]=3 58 B15R1.311 CCC(C)(C)COC(C)c1ccccc1 7a_100000765029_100000230085 [0,0,0,0,0,0|4,0,0]=4 59 B15R1.311 CCC(C)(C)NCC(C)c1ccccc1 2230a_100000211385_100000756946 [0,0,0,0,0,0|2,0,0]=2 60 B15R1.311 CCC(C)(C)NCC(C)c1ccccc1 270004a_100000211385_100000212034 [0,0,0,0,0,0|2,0,0]=2 61 B15R1.311 CCC(C)(C)NCC(O)c1ccccc1 2230a_100000211385_100000185958 [0,0,0,0,0,0|1,0,0]=1 62 B15R1.311 CCC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100000211385_100011933945 [0,0,0,0,0,0|1,0,0]=1 63 B15R1.311 CCC(C)(C)OCC(=O)c1ccccc1 7a_100000210230_100000211460 [0,0,0,0,0,0|2,0,2]=4 64 B15R1.311 CCC(C)(C)OCC(C)c1ccccc1 7a_100000210230_100000756946 [0,0,0,0,0,0|3,0,0]=3 65 B15R1.311 CCC(C)(C)OCC(C)c1ccccc1 7a_100011215166_100000210677 [0,0,0,0,0,0|3,0,0]=3 66 B15R1.311 CCC(C)(C)OCC(O)c1ccccc1 7a_100000210230_100000185958 [0,0,0,0,0,0|2,0,0]=2 67 B15R1.311 CCC(C)(C)OC[C@@H](O)c1ccccc1 7a_100000210230_100011933945 [0,0,0,0,0,0|2,0,0]=2 68 B15R1.311 CCC(C)(C)SCC(=O)c1ccccc1 62a_100000032637_100000211460 [0,0,0,0,0,0|2,0,2]=4 69 B15R1.311 CCC(C)(C)SCC(=O)c1ccccc1 62a_100000211460_100000032637 [0,0,0,0,0,0|2,0,2]=4 70 B15R1.311 CCC(C)(C)SCC(C)c1ccccc1 62a_100000032637_100000756946 [0,0,0,0,0,0|3,0,0]=3 71 B15R1.311 CCC(C)(C)SCC(C)c1ccccc1 62a_100000756946_100000032637 [0,0,0,0,0,0|3,0,0]=3 72 B15R1.311 CCC(C)(C)SCC(O)c1ccccc1 62a_100000032637_100000185958 [0,0,0,0,0,0|2,0,0]=2 73 B15R1.311 CCC(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000032637 [0,0,0,0,0,0|2,0,0]=2 74 B15R1.311 CCC(C)(C)SCS(=O)c1ccccc1 62a_100000032637_100000031784 [0,0,0,0,0,0|3,0,1]=4 75 B15R1.311 CCC(C)(C)SC[C@@H](O)c1ccccc1 62a_100000032637_100011933945 [0,0,0,0,0,0|2,0,0]=2 76 B15R1.311 CCC(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000032637 [0,0,0,0,0,0|2,0,0]=2 77 B15R1.311 CCS(=O)(=O)NCC(O)c1ccccc1 270084a_100000210709_100000211323 [0,0,0,0,0,0|4,0,0]=4 78 B15R1.311 CCS(=O)(=O)NCC(O)c1ccccc1 274078a_100000210709_100000211323 [0,0,0,0,0,0|4,0,0]=4 79 B15R1.311 CCS(=O)(=O)NCC(O)c1ccccc1 40a_100000210709_100000053943 [0,0,0,0,0,0|4,0,0]=4 80 B15R1.311 C[C@@H](OCC(C)(C)CO)c1ccccc1 34a_100000761318_100009813988 [0,0,0,0,0,0|3,0,0]=3 81 B15R1.311 C[C@@H](OCC(C)(C)CO)c1ccccc1 7a_100000761318_100009813988 [0,0,0,0,0,0|3,0,0]=3 82 B15R1.311 O=S(=O)(CCl)NCC(O)c1ccccc1 270084a_100000210709_100000031410 [0,0,0,0,0,0|4,0,0]=4 83 B15R1.311 O=S(=O)(CCl)NCC(O)c1ccccc1 274078a_100000210709_100000031410 [0,0,0,0,0,0|4,0,0]=4 84 B15R1.311 OCC(F)(F)SCC(O)c1ccccc1 62a_100000185958_100011217949 [0,0,0,0,0,0|3,0,0]=3 85 B15R1.311 OCC(F)(F)SCC(O)c1ccccc1 62a_100011217949_100000185958 [0,0,0,0,0,0|3,0,0]=3 86 B15R1.311 OCC(F)(F)SC[C@@H](O)c1ccccc1 62a_100011217949_100011933945 [0,0,0,0,0,0|3,0,0]=3 87 B15R1.311 OCC(F)(F)SC[C@@H](O)c1ccccc1 62a_100011933945_100011217949 [0,0,0,0,0,0|3,0,0]=3 88 B14R1.163 C#CC(C)NCC(C)c1ccccc1 2230a_100000707721_100000756946 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.163 C#CC(C)NCC(C)c1ccccc1 270004a_100000707721_100000212034 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.163 C#CC(C)NCC(C)c1ccccc1 34a_100000701038_200000035995 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.163 C#CC(C)NCC(C)c1ccccc1 34a_100000707721_100000756946 [1,0,0,0,0,0|2,0,1]=4 92 B14R1.163 C#CC(C)NCC(O)c1ccccc1 2230a_100000707721_100000185958 [1,0,0,0,0,0|1,0,1]=3 93 B14R1.163 C#CC(C)NCC(O)c1ccccc1 34a_100000707721_100000185958 [1,0,0,0,0,0|1,0,1]=3 94 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 2230a_100000707721_100011933945 [1,0,0,0,0,0|1,0,1]=3 95 B14R1.163 C#CC(C)NC[C@@H](O)c1ccccc1 34a_100000707721_100011933945 [1,0,0,0,0,0|1,0,1]=3 96 B14R1.163 C#CC(C)SCC(O)c1ccccc1 62a_200000035995_100000185958 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.163 C#CC(C)SC[C@@H](O)c1ccccc1 62a_200000035995_100011933945 [1,0,0,0,0,0|2,0,1]=4 98 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 34a_100009815206_100000185958 [1,0,0,0,0,0|2,0,1]=4 99 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 7a_100009815206_100000185958 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100009815206_100011933945 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 7a_100009815206_100011933945 [1,0,0,0,0,0|2,0,1]=4 102 B14R1.163 C=CC(C)OCC(O)c1ccccc1 34a_100000695699_100000185958 [1,0,0,0,0,0|2,0,1]=4 103 B14R1.163 C=CC(C)OC[C@@H](O)c1ccccc1 34a_100000695699_100011933945 [1,0,0,0,0,0|2,0,1]=4 104 B14R1.163 C=CC(C)SCC(O)c1ccccc1 62a_100011215867_100000185958 [1,0,0,0,0,0|2,0,1]=4 105 B14R1.163 C=CC(C)SC[C@@H](O)c1ccccc1 62a_100011215867_100011933945 [1,0,0,0,0,0|2,0,1]=4 106 B14R1.163 CC(C#N)NCC(C)c1ccccc1 2230a_100000701038_100000184139 [1,0,0,0,0,0|2,0,1]=4 107 B14R1.163 CC(C#N)NCC(C)c1ccccc1 2230a_100000737613_100000756946 [1,0,0,0,0,0|2,0,1]=4 108 B14R1.163 CC(C#N)NCC(O)c1ccccc1 2230a_100000210709_100000184139 [1,0,0,0,0,0|1,0,1]=3 109 B14R1.163 CC(C#N)NCC(O)c1ccccc1 2230a_100000737613_100000185958 [1,0,0,0,0,0|1,0,1]=3 110 B14R1.163 CC(C#N)NCC(O)c1ccccn1 2230a_100000691469_100000184139 [1,0,0,0,0,0|2,0,1]=4 111 B14R1.163 CC(C#N)NCC(O)c1cccnc1 2230a_100020605170_100000184139 [1,0,0,0,0,0|2,0,1]=4 112 B14R1.163 CC(C#N)NC[C@@H](O)c1ccccc1 2230a_100000737613_100011933945 [1,0,0,0,0,0|1,0,1]=3 113 B14R1.163 CC(C#N)OCC(O)c1ccccc1 34a_100011218135_100000185958 [1,0,0,0,0,0|2,0,1]=4 114 B14R1.163 CC(C#N)OC[C@@H](O)c1ccccc1 34a_100011218135_100011933945 [1,0,0,0,0,0|2,0,1]=4 115 B14R1.163 CC(C#N)SCC(O)c1ccccc1 62a_100000185958_100000703298 [1,0,0,0,0,0|2,0,1]=4 116 B14R1.163 CC(C#N)SCC(O)c1ccccc1 62a_100000703298_100000185958 [1,0,0,0,0,0|2,0,1]=4 117 B14R1.163 CC(C#N)SC[C@@H](O)c1ccccc1 62a_100000703298_100011933945 [1,0,0,0,0,0|2,0,1]=4 118 B14R1.163 CC(C#N)SC[C@@H](O)c1ccccc1 62a_100011933945_100000703298 [1,0,0,0,0,0|2,0,1]=4 119 B14R1.163 CC(CF)OCC(C)c1ccccc1 34a_100016041109_100000756946 [1,0,0,0,0,0|3,0,0]=4 120 B14R1.163 CC(CF)OCC(C)c1ccccc1 7a_100016041109_100000756946 [1,0,0,0,0,0|3,0,0]=4 121 B14R1.163 CC(CF)OCC(O)c1ccccc1 34a_100016041109_100000185958 [1,0,0,0,0,0|2,0,0]=3 122 B14R1.163 CC(CF)OCC(O)c1ccccc1 7a_100016041109_100000185958 [1,0,0,0,0,0|2,0,0]=3 123 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 34a_100016041109_100011933945 [1,0,0,0,0,0|2,0,0]=3 124 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 7a_100016041109_100011933945 [1,0,0,0,0,0|2,0,0]=3 125 B14R1.163 CC(CN)OCC(C)c1ccccc1 34a_100000210904_100000756946 [1,0,0,0,0,0|3,0,0]=4 126 B14R1.163 CC(CN)OCC(O)c1ccccc1 34a_100000210904_100000185958 [1,0,0,0,0,0|2,0,0]=3 127 B14R1.163 CC(CN)OC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [1,0,0,0,0,0|2,0,0]=3 128 B14R1.163 CC(CNC(=O)CO)c1ccccc1 240690a_100000701038_100000210174 [1,0,0,0,0,0|2,0,1]=4 129 B14R1.163 CC(CNC(=O)CO)c1ccccc1 527a_100000701038_100000210174 [1,0,0,0,0,0|2,0,1]=4 130 B14R1.163 CC(CN[C@H](C)CF)c1ccccc1 270004a_100102880703_100000212034 [1,0,0,0,0,0|2,0,0]=3 131 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 2230a_100000737577_100000756946 [1,0,0,0,0,0|1,0,0]=2 132 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 270004a_100000737577_100000212034 [1,0,0,0,0,0|1,0,0]=2 133 B14R1.163 CC(CO)CNC(C)c1ccccc1 269862a_100000744482_100000185851 [1,0,0,0,0,0|3,0,0]=4 134 B14R1.163 CC(CO)CNC(C)c1ccccc1 34a_100000744482_100000211855 [1,0,0,0,0,0|3,0,0]=4 135 B14R1.163 CC(CO)NCC(C)c1ccccc1 2230a_100000701038_100012180447 [1,0,0,0,0,0|1,0,0]=2 136 B14R1.163 CC(CO)NCC(C)c1ccccc1 34a_100000701038_100012180447 [1,0,0,0,0,0|1,0,0]=2 137 B14R1.163 CC(CO)NCC(O)c1ccccc1 2230a_100000210709_100012180447 [1,0,0,0,0,0|0,0,0]=1 138 B14R1.163 CC(CO)NCC(O)c1ccccn1 2230a_100000691469_100012180447 [1,0,0,0,0,0|1,0,0]=2 139 B14R1.163 CC(CO)NCC(O)c1cccnc1 2230a_100020605170_100012180447 [1,0,0,0,0,0|1,0,0]=2 140 B14R1.163 CC(CO)OCC(C)c1ccccc1 34a_100011215166_100012180447 [1,0,0,0,0,0|2,0,0]=3 141 B14R1.163 CC(CO)OCC(C)c1ccccc1 7a_100011215166_100012180447 [1,0,0,0,0,0|2,0,0]=3 142 B14R1.163 CC(CO)OC[C@@H](N)c1ccccc1 34a_100000751927_100012180447 [1,0,0,0,0,0|2,0,0]=3 143 B14R1.163 CC(CO)OC[C@@H](N)c1ccncc1 34a_100138412524_100012180447 [1,0,0,0,0,0|3,0,0]=4 144 B14R1.163 CC(CO)SCC(=O)c1ccccc1 62a_100012180447_100000211460 [1,0,0,0,0,0|1,0,2]=4 145 B14R1.163 CC(CO)SCC(C)c1ccccc1 62a_100012180447_100000756946 [1,0,0,0,0,0|2,0,0]=3 146 B14R1.163 CC(CO)SCC(O)c1ccccc1 62a_100012180447_100000185958 [1,0,0,0,0,0|1,0,0]=2 147 B14R1.163 CC(CO)SCS(=O)c1ccccc1 62a_100012180447_100000031784 [1,0,0,0,0,0|2,0,1]=4 148 B14R1.163 CC(CO)SC[C@@H](O)c1ccccc1 62a_100012180447_100011933945 [1,0,0,0,0,0|1,0,0]=2 149 B14R1.163 CC(CS[C@H](C)CO)c1ccccc1 62a_100000756946_100016084084 [1,0,0,0,0,0|2,0,0]=3 150 B14R1.163 CC(CS[C@H](C)CO)c1ccccc1 62a_100016084084_100000756946 [1,0,0,0,0,0|2,0,0]=3 151 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_100000230085 [1,0,0,0,0,0|3,0,0]=4 152 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000230085_100000059175 [1,0,0,0,0,0|3,0,0]=4 153 B14R1.163 CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210414 [1,0,0,0,0,0|2,0,1]=4 154 B14R1.163 CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210414 [1,0,0,0,0,0|2,0,1]=4 155 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000209981_100000756946 [1,0,0,0,0,0|2,0,0]=3 156 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000758301 [1,0,0,0,0,0|2,0,0]=3 157 B14R1.163 CCC(C)NCC(C)c1ccccc1 270004a_100000209981_100000212034 [1,0,0,0,0,0|2,0,0]=3 158 B14R1.163 CCC(C)NCC(C)c1ccccc1 34a_100000701038_100011215416 [1,0,0,0,0,0|2,0,0]=3 159 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000209981_100000185958 [1,0,0,0,0,0|1,0,0]=2 160 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000758301 [1,0,0,0,0,0|1,0,0]=2 161 B14R1.163 CCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000758301 [1,0,0,0,0,0|2,0,0]=3 162 B14R1.163 CCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000758301 [1,0,0,0,0,0|2,0,0]=3 163 B14R1.163 CCC(C)NC[C@@H](O)c1ccccc1 2230a_100000209981_100011933945 [1,0,0,0,0,0|1,0,0]=2 164 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [1,0,0,0,0,0|3,0,0]=4 165 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [1,0,0,0,0,0|3,0,0]=4 166 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [1,0,0,0,0,0|3,0,0]=4 167 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [1,0,0,0,0,0|2,0,0]=3 168 B14R1.163 CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011215416 [1,0,0,0,0,0|3,0,0]=4 169 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [1,0,0,0,0,0|2,0,0]=3 170 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000756946_100000758301 [1,0,0,0,0,0|3,0,0]=4 171 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000758301_100000756946 [1,0,0,0,0,0|3,0,0]=4 172 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000185958_100000758301 [1,0,0,0,0,0|2,0,0]=3 173 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000758301_100000185958 [1,0,0,0,0,0|2,0,0]=3 174 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100000758301_100011933945 [1,0,0,0,0,0|2,0,0]=3 175 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000758301 [1,0,0,0,0,0|2,0,0]=3 176 B14R1.163 CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210202 [1,0,0,0,0,0|3,0,0]=4 177 B14R1.163 CCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000204670 [1,0,0,0,0,0|3,0,0]=4 178 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225621_100000729684 [1,0,0,0,0,0|3,0,0]=4 179 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 269982a_100000225621_100000729684 [1,0,0,0,0,0|3,0,0]=4 180 B14R1.163 CN(CF)CCC(O)c1ccccc1 269982a_100011218556_100015361967 [1,0,0,0,0,0|3,0,0]=4 181 B14R1.163 COC(C)SCC(O)c1ccccc1 62a_100000185958_100009879195 [1,0,0,0,0,0|3,0,0]=4 182 B14R1.163 COC(C)SCC(O)c1ccccc1 62a_100009879195_100000185958 [1,0,0,0,0,0|3,0,0]=4 183 B14R1.163 COC(C)SC[C@@H](O)c1ccccc1 62a_100009879195_100011933945 [1,0,0,0,0,0|3,0,0]=4 184 B14R1.163 COC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100009879195 [1,0,0,0,0,0|3,0,0]=4 185 B14R1.163 C[C@@H](CO)CN[C@H](C)c1ccccc1 2230a_100000751104_100000059175 [1,0,0,0,0,0|3,0,0]=4 186 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 34a_100000761318_100000059175 [1,0,0,0,0,0|3,0,0]=4 187 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 7a_100000761318_100000059175 [1,0,0,0,0,0|3,0,0]=4 188 B14R1.163 C[C@H](CO)NCC(O)c1ccccc1 2230a_100000737577_100000185958 [1,0,0,0,0,0|0,0,0]=1 189 B14R1.163 C[C@H](CO)NC[C@@H](O)c1ccccc1 2230a_100000737577_100011933945 [1,0,0,0,0,0|0,0,0]=1 190 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100000211460_100016084084 [1,0,0,0,0,0|1,0,2]=4 191 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100016084084_100000211460 [1,0,0,0,0,0|1,0,2]=4 192 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100000185958_100016084084 [1,0,0,0,0,0|1,0,0]=2 193 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100016084084_100000185958 [1,0,0,0,0,0|1,0,0]=2 194 B14R1.163 C[C@H](CO)SCS(=O)c1ccccc1 62a_100016084084_100000031784 [1,0,0,0,0,0|2,0,1]=4 195 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100011933945_100016084084 [1,0,0,0,0,0|1,0,0]=2 196 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100016084084_100011933945 [1,0,0,0,0,0|1,0,0]=2 197 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [1,0,0,0,0,0|2,0,1]=4 198 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [1,0,0,0,0,0|1,0,1]=3 199 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [1,0,0,0,0,0|1,0,1]=3 200 B14R1.163 O=C(CO)NCC(O)c1ccccn1 240690a_100000691469_100000210174 [1,0,0,0,0,0|2,0,1]=4 201 B14R1.163 O=C(CO)NCC(O)c1ccccn1 527a_100000691469_100000210174 [1,0,0,0,0,0|2,0,1]=4 202 B14R1.163 O=C(CO)NCC(O)c1cccnc1 240690a_100020605170_100000210174 [1,0,0,0,0,0|2,0,1]=4 203 B14R1.163 O=C(CO)NCC(O)c1cccnc1 527a_100020605170_100000210174 [1,0,0,0,0,0|2,0,1]=4 204 B14R1.292 C#CC(C)(C)NCCc1ccccc1 34a_100000054563_100000765856 [1,0,0,0,0,0|1,0,1]=3 205 B14R1.292 C#CC(C)(C)NCCc1ccccc1 34a_100000106460_100000038118 [1,0,0,0,0,0|1,0,1]=3 206 B14R1.292 C#CC(C)(C)OCCc1ccccc1 34a_100000189450_100000765856 [1,0,0,0,0,0|2,0,1]=4 207 B14R1.292 C#CC(C)(C)OCCc1ccccc1 34a_100000210268_100000038118 [1,0,0,0,0,0|2,0,1]=4 208 B14R1.292 C#CC(C)(C)OCCc1ccccc1 7a_100000189450_100000765856 [1,0,0,0,0,0|2,0,1]=4 209 B14R1.292 C#CC(C)(C)SCCc1ccccc1 62a_100000038118_100011218657 [1,0,0,0,0,0|2,0,1]=4 210 B14R1.292 C#CC(C)(C)SCCc1ccccc1 62a_100000765856_100000038118 [1,0,0,0,0,0|2,0,1]=4 211 B14R1.292 C=CC(C)(C)OCCc1ccccc1 34a_100011215311_100000765856 [1,0,0,0,0,0|2,0,1]=4 212 B14R1.292 C=CC(C)(C)OCCc1ccccc1 7a_100011215311_100000765856 [1,0,0,0,0,0|2,0,1]=4 213 B14R1.292 CC(C)(C#N)NCCc1ccccc1 34a_100000106460_100011162410 [1,0,0,0,0,0|1,0,1]=3 214 B14R1.292 CC(C)(C#N)OCCc1ccccc1 34a_100000210268_100011162410 [1,0,0,0,0,0|2,0,1]=4 215 B14R1.292 CC(C)(C#N)OCCc1ccccc1 34a_200015195151_100000765856 [1,0,0,0,0,0|2,0,1]=4 216 B14R1.292 CC(C)(C#N)OCCc1ccccc1 7a_100000210268_100011162410 [1,0,0,0,0,0|2,0,1]=4 217 B14R1.292 CC(C)(C#N)SCCc1ccccc1 62a_100000765856_100011162410 [1,0,0,0,0,0|2,0,1]=4 218 B14R1.292 CC(C)(C#N)SCCc1ccccc1 62a_100011162410_100011218657 [1,0,0,0,0,0|2,0,1]=4 219 B14R1.292 CC(C)(CCl)COCc1ccccc1 7a_100011217199_100000211182 [1,0,0,0,0,0|3,0,0]=4 220 B14R1.292 CC(C)(CCl)OCCc1ccccc1 7a_100000764493_100000765856 [1,0,0,0,0,0|2,0,0]=3 221 B14R1.292 CC(C)(CCl)OCCc1ccccn1 7a_100000764493_100015183660 [1,0,0,0,0,0|3,0,0]=4 222 B14R1.292 CC(C)(CCl)OCCc1cccnc1 7a_100000764493_200011713674 [1,0,0,0,0,0|3,0,0]=4 223 B14R1.292 CC(C)(CCl)OCCc1ccncc1 7a_100000764493_100000723409 [1,0,0,0,0,0|3,0,0]=4 224 B14R1.292 CC(C)(CO)CNCc1ccccc1 207a_100020635058_100015611070 [1,0,0,0,0,0|2,0,0]=3 225 B14R1.292 CC(C)(CO)CNCc1ccccc1 2230a_100020635058_100015291786 [1,0,0,0,0,0|2,0,0]=3 226 B14R1.292 CC(C)(CO)CNCc1ccccc1 270004a_100020635058_100015611070 [1,0,0,0,0,0|2,0,0]=3 227 B14R1.292 CC(C)(CO)CNCc1ccccc1 34a_100015324214_100009813988 [1,0,0,0,0,0|2,0,0]=3 228 B14R1.292 CC(C)(CO)CNCc1ccccn1 207a_100020635058_100000209966 [1,0,0,0,0,0|3,0,0]=4 229 B14R1.292 CC(C)(CO)CNCc1ccccn1 2230a_100020635058_100000721315 [1,0,0,0,0,0|3,0,0]=4 230 B14R1.292 CC(C)(CO)CNCc1ccccn1 270004a_100020635058_100000209966 [1,0,0,0,0,0|3,0,0]=4 231 B14R1.292 CC(C)(CO)CNCc1cccnc1 207a_100020635058_100000209961 [1,0,0,0,0,0|3,0,0]=4 232 B14R1.292 CC(C)(CO)CNCc1cccnc1 2230a_100020635058_100000741622 [1,0,0,0,0,0|3,0,0]=4 233 B14R1.292 CC(C)(CO)CNCc1cccnc1 270004a_100020635058_100000209961 [1,0,0,0,0,0|3,0,0]=4 234 B14R1.292 CC(C)(CO)CNCc1ccncc1 207a_100020635058_100000186114 [1,0,0,0,0,0|3,0,0]=4 235 B14R1.292 CC(C)(CO)CNCc1ccncc1 2230a_100020635058_100015193705 [1,0,0,0,0,0|3,0,0]=4 236 B14R1.292 CC(C)(CO)COCc1ccccc1 34a_100000210790_100009813988 [1,0,0,0,0,0|2,0,0]=3 237 B14R1.292 CC(C)(CO)COCc1ccccc1 7a_100000210790_100009813988 [1,0,0,0,0,0|2,0,0]=3 238 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100000211182_100009813988 [1,0,0,0,0,0|2,0,0]=3 239 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100009813988_100015291786 [1,0,0,0,0,0|2,0,0]=3 240 B14R1.292 CC(C)(CO)CSCc1ccccn1 62a_100000721315_100009813988 [1,0,0,0,0,0|3,0,0]=4 241 B14R1.292 CC(C)(CO)CSCc1ccccn1 62a_100009813988_100000721315 [1,0,0,0,0,0|3,0,0]=4 242 B14R1.292 CC(C)(CO)CSCc1cccnc1 62a_100000741622_100009813988 [1,0,0,0,0,0|3,0,0]=4 243 B14R1.292 CC(C)(CO)CSCc1cccnc1 62a_100009813988_100000741622 [1,0,0,0,0,0|3,0,0]=4 244 B14R1.292 CC(C)(CO)CSCc1ccncc1 62a_100009813988_100015193705 [1,0,0,0,0,0|3,0,0]=4 245 B14R1.292 CC(C)(CO)CSCc1ccncc1 62a_100015193705_100009813988 [1,0,0,0,0,0|3,0,0]=4 246 B14R1.292 CC(C)(CO)NCCc1ccccc1 2230a_100000210608_100000765856 [1,0,0,0,0,0|0,0,0]=1 247 B14R1.292 CC(C)(CO)NCCc1ccccn1 2230a_100000210608_100015183660 [1,0,0,0,0,0|1,0,0]=2 248 B14R1.292 CC(C)(CO)NCCc1cccnc1 2230a_100000210608_200011713674 [1,0,0,0,0,0|1,0,0]=2 249 B14R1.292 CC(C)(CO)NCCc1ccncc1 2230a_100000210608_100000723409 [1,0,0,0,0,0|1,0,0]=2 250 B14R1.292 CC(C)(CO)NCSc1ccccc1 2230a_100000210608_100011218342 [1,0,0,0,0,0|1,0,0]=2 251 B14R1.292 CCC(C)(C)COCc1ccccc1 7a_100000765029_100000211182 [1,0,0,0,0,0|3,0,0]=4 252 B14R1.292 CCC(C)(C)NCCc1ccccc1 2230a_100000211385_100000765856 [1,0,0,0,0,0|1,0,0]=2 253 B14R1.292 CCC(C)(C)NCCc1ccccn1 2230a_100000211385_100015183660 [1,0,0,0,0,0|2,0,0]=3 254 B14R1.292 CCC(C)(C)NCCc1cccnc1 2230a_100000211385_200011713674 [1,0,0,0,0,0|2,0,0]=3 255 B14R1.292 CCC(C)(C)NCCc1ccncc1 2230a_100000211385_100000723409 [1,0,0,0,0,0|2,0,0]=3 256 B14R1.292 CCC(C)(C)NCSc1ccccc1 2230a_100000211385_100011218342 [1,0,0,0,0,0|2,0,0]=3 257 B14R1.292 CCC(C)(C)OCCc1ccccc1 7a_100000210230_100000765856 [1,0,0,0,0,0|2,0,0]=3 258 B14R1.292 CCC(C)(C)OCCc1ccccc1 7a_100000210268_100000210677 [1,0,0,0,0,0|2,0,0]=3 259 B14R1.292 CCC(C)(C)OCCc1ccccn1 7a_100000210230_100015183660 [1,0,0,0,0,0|3,0,0]=4 260 B14R1.292 CCC(C)(C)OCCc1cccnc1 7a_100000210230_200011713674 [1,0,0,0,0,0|3,0,0]=4 261 B14R1.292 CCC(C)(C)OCCc1ccncc1 7a_100000210230_100000723409 [1,0,0,0,0,0|3,0,0]=4 262 B14R1.292 CCC(C)(C)SCCc1ccccc1 62a_100000032637_100011218657 [1,0,0,0,0,0|2,0,0]=3 263 B14R1.292 CCC(C)(C)SCCc1ccccc1 62a_100000765856_100000032637 [1,0,0,0,0,0|2,0,0]=3 264 B14R1.292 CCC(C)(C)SCCc1ccccn1 62a_100000032637_100015183660 [1,0,0,0,0,0|3,0,0]=4 265 B14R1.292 CCC(C)(C)SCCc1ccccn1 62a_100015183660_100000032637 [1,0,0,0,0,0|3,0,0]=4 266 B14R1.292 CCC(C)(C)SCCc1cccnc1 62a_100000032637_200011713674 [1,0,0,0,0,0|3,0,0]=4 267 B14R1.292 CCC(C)(C)SCCc1cccnc1 62a_200011713674_100000032637 [1,0,0,0,0,0|3,0,0]=4 268 B14R1.292 CCC(C)(C)SCCc1ccncc1 62a_100000032637_100000723409 [1,0,0,0,0,0|3,0,0]=4 269 B14R1.292 CCC(C)(C)SCCc1ccncc1 62a_100000723409_100000032637 [1,0,0,0,0,0|3,0,0]=4 270 B14R1.292 CCC(C)(C)SCSc1ccccc1 62a_100000032637_100011218342 [1,0,0,0,0,0|3,0,0]=4 271 B14R1.292 CCC(C)(C)SCSc1ccccc1 62a_100011218342_100000032637 [1,0,0,0,0,0|3,0,0]=4 272 B14R1.292 OCC(F)(F)SCCc1ccccc1 62a_100000765856_100011217949 [1,0,0,0,0,0|3,0,0]=4 273 B14R1.292 OCC(F)(F)SCCc1ccccc1 62a_100011217949_100011218657 [1,0,0,0,0,0|3,0,0]=4 274 B14R1.3098 CC(=NNC(C)(C)C)c1ccccc1 4a_100000725372_100000185851 [1,0,0,0,0,0|2,0,1]=4 275 B14R1.3098 CC(C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000755188 [1,0,0,0,0,0|1,0,2]=4 276 B14R1.3098 CC(C)(C)NCC(O)c1ccccc1 2230a_100000715429_100000185958 [1,0,0,0,0,0|0,0,0]=1 277 B14R1.3098 CC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100000715429_100011933945 [1,0,0,0,0,0|0,0,0]=1 278 B14R1.3098 CC(C)(C)NNC(=O)c1ccccc1 22a_100000725372_100000185807 [1,0,0,0,0,0|1,0,2]=4 279 B14R1.3098 CC(C)(C)OCC(=O)c1ccccc1 7a_100015890283_100000211460 [1,0,0,0,0,0|1,0,2]=4 280 B14R1.3098 CC(C)(C)OCC(O)c1ccccc1 34a_100015890283_100000185958 [1,0,0,0,0,0|1,0,0]=2 281 B14R1.3098 CC(C)(C)OCC(O)c1ccccc1 7a_100015890283_100000185958 [1,0,0,0,0,0|1,0,0]=2 282 B14R1.3098 CC(C)(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210625 [1,0,0,0,0,0|2,0,0]=3 283 B14R1.3098 CC(C)(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100000210625 [1,0,0,0,0,0|3,0,0]=4 284 B14R1.3098 CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100015890283_100011933945 [1,0,0,0,0,0|1,0,0]=2 285 B14R1.3098 CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100015890283_100011933945 [1,0,0,0,0,0|1,0,0]=2 286 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211460_100000211941 [1,0,0,0,0,0|1,0,2]=4 287 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211941_100000211460 [1,0,0,0,0,0|1,0,2]=4 288 B14R1.3098 CC(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000211941 [1,0,0,0,0,0|1,0,0]=2 289 B14R1.3098 CC(C)(C)SCC(O)c1ccccc1 62a_100000211941_100000185958 [1,0,0,0,0,0|1,0,0]=2 290 B14R1.3098 CC(C)(C)SCS(=O)c1ccccc1 62a_100000211941_100000031784 [1,0,0,0,0,0|2,0,1]=4 291 B14R1.3098 CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100000211941_100011933945 [1,0,0,0,0,0|1,0,0]=2 292 B14R1.3098 CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000211941 [1,0,0,0,0,0|1,0,0]=2 293 B14R1.3098 CC(CNC(C)(C)C)c1ccccc1 2230a_100000715429_100000756946 [1,0,0,0,0,0|1,0,0]=2 294 B14R1.3098 CC(CNC(C)(C)C)c1ccccc1 34a_100000701038_100000210625 [1,0,0,0,0,0|1,0,0]=2 295 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 34a_100011215166_100000210625 [1,0,0,0,0,0|2,0,0]=3 296 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 34a_100015890283_100000756946 [1,0,0,0,0,0|2,0,0]=3 297 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 7a_100015890283_100000756946 [1,0,0,0,0,0|2,0,0]=3 298 B14R1.3098 CC(CSC(C)(C)C)c1ccccc1 62a_100000211941_100000756946 [1,0,0,0,0,0|2,0,0]=3 299 B14R1.3098 CC(CSC(C)(C)C)c1ccccc1 62a_100000756946_100000211941 [1,0,0,0,0,0|2,0,0]=3 300 B14R1.3098 CC(NCC(C)(C)C)c1ccccc1 2230a_100000743828_100000230085 [1,0,0,0,0,0|3,0,0]=4 301 B14R1.3098 CC(NCC(C)(C)C)c1ccccc1 269862a_100000743828_100000185851 [1,0,0,0,0,0|3,0,0]=4 302 B14R1.3098 CC(NCC(C)(C)O)c1ccccc1 2230a_100000751335_100000230085 [1,0,0,0,0,0|3,0,0]=4 303 B14R1.3098 CC(NCC(C)(C)O)c1ccccc1 269862a_100000751335_100000185851 [1,0,0,0,0,0|3,0,0]=4 304 B14R1.3098 CC(SCC(C)(C)C)c1ccccc1 62a_100000230085_100011219605 [1,0,0,0,0,0|3,0,0]=4 305 B14R1.3098 CC(SCC(C)(C)C)c1ccccc1 62a_100011219605_100000230085 [1,0,0,0,0,0|3,0,0]=4 306 B14R1.3098 CC(SCC(C)(C)O)c1ccccc1 62a_100000230085_100000764493 [1,0,0,0,0,0|3,0,0]=4 307 B14R1.3098 CC(SCC(C)(C)O)c1ccccc1 62a_100000764493_100000230085 [1,0,0,0,0,0|3,0,0]=4 308 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 2230a_100000210012_100000755188 [1,0,0,0,0,0|3,0,0]=4 309 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 269982a_100000210012_100000755188 [1,0,0,0,0,0|3,0,0]=4 310 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 34a_100000210012_100000755188 [1,0,0,0,0,0|3,0,0]=4 311 B14R1.3098 CN(CCC(C)(C)O)c1ccccc1 2230a_100000210012_100000702414 [1,0,0,0,0,0|3,0,0]=4 312 B14R1.3098 CN(CCC(C)(C)O)c1ccccc1 34a_100000210012_100000702414 [1,0,0,0,0,0|3,0,0]=4 313 B14R1.3098 CS(=O)(=O)NCC(O)c1ccccc1 40a_100000210709_100000738038 [1,0,0,0,0,0|2,0,1]=4 314 B14R1.3098 C[C@@H](NCC(C)(C)C)c1ccccc1 270004a_100000751104_100011204126 [1,0,0,0,0,0|3,0,0]=4 315 B14R1.3098 C[C@@H](OCC(C)(C)C)c1ccccc1 34a_100000761318_100011219605 [1,0,0,0,0,0|3,0,0]=4 316 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 34a_100000761318_100000764493 [1,0,0,0,0,0|3,0,0]=4 317 B14R1.3098 C[C@@H](OCC(C)(C)O)c1ccccc1 7a_100000761318_100000764493 [1,0,0,0,0,0|3,0,0]=4 318 B16R1.335 C#CC(C)(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100000038118 [0,1,0,0,0,0|2,0,1]=4 319 B16R1.335 C#CC(C)(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000038118 [0,1,0,0,0,0|1,0,1]=3 320 B16R1.335 C#CC(C)(C)NCC(O)c1ccc(cc1)C 34a_200020610344_100000038118 [0,1,0,0,0,0|1,0,1]=3 321 B16R1.335 C#CC(C)(C)NCC(O)c1ccc(cc1)Cl 34a_100000054563_200011996143 [0,1,0,0,0,0|1,0,1]=3 322 B16R1.335 C#CC(C)(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000038118 [0,1,0,0,0,0|1,0,1]=3 323 B16R1.335 C#CC(C)(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000038118 [0,1,0,0,0,0|1,0,1]=3 324 B16R1.335 C#CC(C)(C)NC[C@H](O)c1ccc(cc1)F 34a_100000054563_100000720402 [0,1,0,0,0,0|1,0,1]=3 325 B16R1.335 C#CC(C)(C)OCC(O)c1ccc(cc1)Cl 34a_100000189450_200011996143 [0,1,0,0,0,0|2,0,1]=4 326 B16R1.335 C#CC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100000189450_200011996143 [0,1,0,0,0,0|2,0,1]=4 327 B16R1.335 C#CC(C)(C)OC[C@H](O)c1ccc(cc1)F 34a_100000189450_100000720402 [0,1,0,0,0,0|2,0,1]=4 328 B16R1.335 C#CC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100000189450_100000720402 [0,1,0,0,0,0|2,0,1]=4 329 B16R1.335 C#CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_100000038118_200011996143 [0,1,0,0,0,0|2,0,1]=4 330 B16R1.335 C#CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000038118 [0,1,0,0,0,0|2,0,1]=4 331 B16R1.335 C#CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000038118_100000720402 [0,1,0,0,0,0|2,0,1]=4 332 B16R1.335 C#CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000038118 [0,1,0,0,0,0|2,0,1]=4 333 B16R1.335 C=CC(C)(C)OCC(O)c1ccc(cc1)Cl 34a_100011215311_200011996143 [0,1,0,0,0,0|2,0,1]=4 334 B16R1.335 C=CC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100011215311_200011996143 [0,1,0,0,0,0|2,0,1]=4 335 B16R1.335 C=CC(C)(C)OC[C@H](O)c1ccc(cc1)F 34a_100011215311_100000720402 [0,1,0,0,0,0|2,0,1]=4 336 B16R1.335 C=CC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100011215311_100000720402 [0,1,0,0,0,0|2,0,1]=4 337 B16R1.335 CC(C)(C#N)NCC(O)c1ccc(cc1)Br 34a_100020626992_100011162410 [0,1,0,0,0,0|1,0,1]=3 338 B16R1.335 CC(C)(C#N)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100011162410 [0,1,0,0,0,0|1,0,1]=3 339 B16R1.335 CC(C)(C#N)NCC(O)c1ccc(cc1)O 34a_100000067596_100011162410 [0,1,0,0,0,0|1,0,1]=3 340 B16R1.335 CC(C)(C#N)OCC(O)c1ccc(cc1)Cl 34a_200015195151_200011996143 [0,1,0,0,0,0|2,0,1]=4 341 B16R1.335 CC(C)(C#N)OC[C@H](O)c1ccc(cc1)F 34a_200015195151_100000720402 [0,1,0,0,0,0|2,0,1]=4 342 B16R1.335 CC(C)(C#N)SCC(O)c1ccc(cc1)Cl 62a_100011162410_200011996143 [0,1,0,0,0,0|2,0,1]=4 343 B16R1.335 CC(C)(C#N)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100011162410 [0,1,0,0,0,0|2,0,1]=4 344 B16R1.335 CC(C)(C#N)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011162410 [0,1,0,0,0,0|2,0,1]=4 345 B16R1.335 CC(C)(C#N)SC[C@H](O)c1ccc(cc1)F 62a_100011162410_100000720402 [0,1,0,0,0,0|2,0,1]=4 346 B16R1.335 CC(C)(CCl)OCC(O)c1ccc(cc1)Cl 7a_100000764493_200011996143 [0,1,0,0,0,0|2,0,0]=3 347 B16R1.335 CC(C)(CCl)OC[C@H](O)c1ccc(cc1)F 7a_100000764493_100000720402 [0,1,0,0,0,0|2,0,0]=3 348 B16R1.335 CC(C)(CO)NCC(O)c1ccc(cc1)Cl 2230a_100000210608_200011996143 [0,1,0,0,0,0|0,0,0]=1 349 B16R1.335 CC(C)(CO)NC[C@H](O)c1ccc(cc1)F 2230a_100000210608_100000720402 [0,1,0,0,0,0|0,0,0]=1 350 B16R1.335 CC(CNC(C)(C)C#N)c1ccc(cc1)O 34a_200015188644_100011162410 [0,1,0,0,0,0|2,0,1]=4 351 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)Br 2230a_100020635058_100000755118 [0,1,0,0,0,0|3,0,0]=4 352 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)Br 269862a_100020635058_100000185794 [0,1,0,0,0,0|3,0,0]=4 353 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)Cl 2230a_100020635058_100000684792 [0,1,0,0,0,0|3,0,0]=4 354 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)Cl 269862a_100020635058_100000185797 [0,1,0,0,0,0|3,0,0]=4 355 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)F 2230a_100020635058_100000743420 [0,1,0,0,0,0|3,0,0]=4 356 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)F 269862a_100020635058_100000185800 [0,1,0,0,0,0|3,0,0]=4 357 B16R1.335 CC(NCC(C)(C)CO)c1ccc(cc1)I 269862a_100020635058_100000185465 [0,1,0,0,0,0|3,0,0]=4 358 B16R1.335 CC(OCC(C)(C)CO)c1ccc(cc1)Br 34a_100000745893_100009813988 [0,1,0,0,0,0|3,0,0]=4 359 B16R1.335 CC(OCC(C)(C)CO)c1ccc(cc1)Br 7a_100000745893_100009813988 [0,1,0,0,0,0|3,0,0]=4 360 B16R1.335 CC(OCC(C)(C)CO)c1ccc(cc1)F 34a_100000181323_100009813988 [0,1,0,0,0,0|3,0,0]=4 361 B16R1.335 CC(OCC(C)(C)CO)c1ccc(cc1)F 7a_100000181323_100009813988 [0,1,0,0,0,0|3,0,0]=4 362 B16R1.335 CC(OCC(C)(C)CO)c1ccc(cc1)N 34a_100011216399_100009813988 [0,1,0,0,0,0|3,0,0]=4 363 B16R1.335 CC(SCC(C)(C)CO)c1ccc(cc1)Br 62a_100000755118_100009813988 [0,1,0,0,0,0|3,0,0]=4 364 B16R1.335 CC(SCC(C)(C)CO)c1ccc(cc1)Br 62a_100009813988_100000755118 [0,1,0,0,0,0|3,0,0]=4 365 B16R1.335 CC(SCC(C)(C)CO)c1ccc(cc1)Cl 62a_100000684792_100009813988 [0,1,0,0,0,0|3,0,0]=4 366 B16R1.335 CC(SCC(C)(C)CO)c1ccc(cc1)Cl 62a_100009813988_100000684792 [0,1,0,0,0,0|3,0,0]=4 367 B16R1.335 CC(SCC(C)(C)CO)c1ccc(cc1)F 62a_100000743420_100009813988 [0,1,0,0,0,0|3,0,0]=4 368 B16R1.335 CC(SCC(C)(C)CO)c1ccc(cc1)F 62a_100009813988_100000743420 [0,1,0,0,0,0|3,0,0]=4 369 B16R1.335 CCC(C)(C)NCC(=O)c1ccc(cc1)C 2230a_100000211385_100000211441 [0,1,0,0,0,0|1,0,2]=4 370 B16R1.335 CCC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000211385_200011996143 [0,1,0,0,0,0|1,0,0]=2 371 B16R1.335 CCC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000211385_100000720402 [0,1,0,0,0,0|1,0,0]=2 372 B16R1.335 CCC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100000210230_200011996143 [0,1,0,0,0,0|2,0,0]=3 373 B16R1.335 CCC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100000210230_100000720402 [0,1,0,0,0,0|2,0,0]=3 374 B16R1.335 CCC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_100000032637_200011996143 [0,1,0,0,0,0|2,0,0]=3 375 B16R1.335 CCC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000032637 [0,1,0,0,0,0|2,0,0]=3 376 B16R1.335 CCC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000032637_100000720402 [0,1,0,0,0,0|2,0,0]=3 377 B16R1.335 CCC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000032637 [0,1,0,0,0,0|2,0,0]=3 378 B16R1.335 C[C@@H](NCC(C)(C)CO)c1ccc(cc1)Cl 34a_100015205461_100009813988 [0,1,0,0,0,0|3,0,0]=4 379 B16R1.335 C[C@H](NCC(C)(C)CO)c1ccc(cc1)F 34a_100025705893_100009813988 [0,1,0,0,0,0|3,0,0]=4 380 B16R1.335 C[C@H](OCC(C)(C)CO)c1ccc(cc1)Cl 34a_100011852131_100009813988 [0,1,0,0,0,0|3,0,0]=4 381 B16R1.335 C[C@H](OCC(C)(C)CO)c1ccc(cc1)Cl 7a_100011852131_100009813988 [0,1,0,0,0,0|3,0,0]=4 382 B16R1.335 Cc1ccc(cc1)C(=O)CNC(C)(C)CO 2230a_100000210608_100000211441 [0,1,0,0,0,0|0,0,2]=3 383 B16R1.335 Cc1ccc(cc1)C(C)NCC(C)(C)CO 2230a_100020635058_100011261388 [0,1,0,0,0,0|3,0,0]=4 384 B16R1.335 Cc1ccc(cc1)C(C)NCC(C)(C)CO 269862a_100020635058_100000185793 [0,1,0,0,0,0|3,0,0]=4 385 B16R1.335 Cc1ccc(cc1)C(C)SCC(C)(C)CO 62a_100009813988_100011261388 [0,1,0,0,0,0|3,0,0]=4 386 B16R1.335 Cc1ccc(cc1)C(C)SCC(C)(C)CO 62a_100011261388_100009813988 [0,1,0,0,0,0|3,0,0]=4 387 B16R1.335 Cc1ccc(cc1)C(O)CNC(C)(C)C#N 34a_200020610344_100011162410 [0,1,0,0,0,0|1,0,1]=3 388 B16R1.335 Cc1ccc(cc1)[C@@H](C)NCC(C)(C)CO 34a_100016988085_100009813988 [0,1,0,0,0,0|3,0,0]=4 389 B16R1.335 Cc1ccc(cc1)[C@@H](C)OCC(C)(C)CO 34a_100000690690_100009813988 [0,1,0,0,0,0|3,0,0]=4 390 B16R1.335 Cc1ccc(cc1)[C@@H](C)OCC(C)(C)CO 7a_100000690690_100009813988 [0,1,0,0,0,0|3,0,0]=4 391 B16R1.335 OCC(F)(F)SCC(O)c1ccc(cc1)Cl 62a_100011217949_200011996143 [0,1,0,0,0,0|3,0,0]=4 392 B16R1.335 OCC(F)(F)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100011217949 [0,1,0,0,0,0|3,0,0]=4 393 B16R1.335 OCC(F)(F)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100011217949 [0,1,0,0,0,0|3,0,0]=4 394 B16R1.335 OCC(F)(F)SC[C@H](O)c1ccc(cc1)F 62a_100011217949_100000720402 [0,1,0,0,0,0|3,0,0]=4 395 B16R1.335 [2H]C(OCC(C)(C)CO)c1ccc(cc1)F 34a_217856618577_100009813988 [0,1,0,0,0,0|3,0,0]=4 396 B16R1.335 [2H]C(OCC(C)(C)CO)c1ccc(cc1)F 7a_217856618577_100009813988 [0,1,0,0,0,0|3,0,0]=4 397 B16R1.336 C#CC(C)(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000038118 [0,1,0,0,0,0|1,0,1]=3 398 B16R1.336 CC(C)(C#N)NCC(O)c1cccc(c1)O 34a_100020657549_100011162410 [0,1,0,0,0,0|1,0,1]=3 399 B16R1.336 CC(C)(CO)NCC(=O)c1cccc(c1)Br 2230a_100000210608_100000212080 [0,1,0,0,0,0|0,0,2]=3 400 B16R1.336 CC(C)(CO)NCC(=O)c1cccc(c1)Cl 2230a_100000210608_100000211444 [0,1,0,0,0,0|0,0,2]=3 401 B16R1.336 CC(C)(CO)NCC(=O)c1cccc(c1)F 2230a_100000210608_100000215616 [0,1,0,0,0,0|0,0,2]=3 402 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)Br 269862a_100020635058_100000210093 [0,1,0,0,0,0|3,0,0]=4 403 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)Cl 269862a_100020635058_200000210964 [0,1,0,0,0,0|3,0,0]=4 404 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)Cl 34a_100102723534_100009813988 [0,1,0,0,0,0|3,0,0]=4 405 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)F 269862a_100020635058_100000187083 [0,1,0,0,0,0|3,0,0]=4 406 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)I 269862a_100020635058_100011356966 [0,1,0,0,0,0|3,0,0]=4 407 B16R1.336 CC(NCC(C)(C)CO)c1cccc(c1)O 269862a_100020635058_100000211620 [0,1,0,0,0,0|3,0,0]=4 408 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)Br 34a_100000246457_100009813988 [0,1,0,0,0,0|3,0,0]=4 409 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)Br 7a_100000246457_100009813988 [0,1,0,0,0,0|3,0,0]=4 410 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)F 34a_100000744526_100009813988 [0,1,0,0,0,0|3,0,0]=4 411 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)F 7a_100000744526_100009813988 [0,1,0,0,0,0|3,0,0]=4 412 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)I 34a_100013085317_100009813988 [0,1,0,0,0,0|3,0,0]=4 413 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)I 7a_100013085317_100009813988 [0,1,0,0,0,0|3,0,0]=4 414 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)N 34a_100011217120_100009813988 [0,1,0,0,0,0|3,0,0]=4 415 B16R1.336 CC(OCC(C)(C)CO)c1cccc(c1)N 7a_100011217120_100009813988 [0,1,0,0,0,0|3,0,0]=4 416 B16R1.336 CCC(C)(C)NCC(=O)c1cccc(c1)Br 2230a_100000211385_100000212080 [0,1,0,0,0,0|1,0,2]=4 417 B16R1.336 CCC(C)(C)NCC(=O)c1cccc(c1)C 2230a_100000211385_100000739480 [0,1,0,0,0,0|1,0,2]=4 418 B16R1.336 CCC(C)(C)NCC(=O)c1cccc(c1)Cl 2230a_100000211385_100000211444 [0,1,0,0,0,0|1,0,2]=4 419 B16R1.336 CCC(C)(C)NCC(=O)c1cccc(c1)F 2230a_100000211385_100000215616 [0,1,0,0,0,0|1,0,2]=4 420 B16R1.336 C[C@@H](NCC(C)(C)CO)c1cccc(c1)F 34a_100015193778_100009813988 [0,1,0,0,0,0|3,0,0]=4 421 B16R1.336 C[C@@H](OCC(C)(C)CO)c1cccc(c1)Cl 34a_100000747380_100009813988 [0,1,0,0,0,0|3,0,0]=4 422 B16R1.336 C[C@@H](OCC(C)(C)CO)c1cccc(c1)Cl 7a_100000747380_100009813988 [0,1,0,0,0,0|3,0,0]=4 423 B16R1.336 Cc1cccc(c1)C(=O)CNC(C)(C)CO 2230a_100000210608_100000739480 [0,1,0,0,0,0|0,0,2]=3 424 B16R1.336 Cc1cccc(c1)C(C)NCC(C)(C)CO 269862a_100020635058_100000211476 [0,1,0,0,0,0|3,0,0]=4 425 B16R1.336 Cc1cccc(c1)C(C)OCC(C)(C)CO 34a_100000757818_100009813988 [0,1,0,0,0,0|3,0,0]=4 426 B16R1.336 Cc1cccc(c1)C(C)OCC(C)(C)CO 7a_100000757818_100009813988 [0,1,0,0,0,0|3,0,0]=4 427 B16R1.336 Cc1cccc(c1)[C@@H](C)NCC(C)(C)CO 34a_100000698126_100009813988 [0,1,0,0,0,0|3,0,0]=4 428 B16R1.344 C#CC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100000079900_100000185958 [0,1,0,0,0,0|2,0,1]=4 429 B16R1.344 C#CC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_100000038118 [0,1,0,0,0,0|2,0,1]=4 430 B16R1.344 C#CC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000079900_100011933945 [0,1,0,0,0,0|2,0,1]=4 431 B16R1.344 C=CC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100012027013_100000185958 [0,1,0,0,0,0|2,0,1]=4 432 B16R1.344 C=CC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100012027013_100011933945 [0,1,0,0,0,0|2,0,1]=4 433 B16R1.344 CC(C)(C#N)C(=O)CC(O)c1ccccc1 1458a_100000740761_100000185958 [0,1,0,0,0,0|2,0,1]=4 434 B16R1.344 CC(C)(C#N)C(=O)C[C@@H](O)c1ccccc1 1458a_100000740761_100011933945 [0,1,0,0,0,0|2,0,1]=4 435 B16R1.344 CC(C)(CF)C(=O)CC(O)c1ccccc1 1458a_100000138116_100000185958 [0,1,0,0,0,0|2,0,0]=3 436 B16R1.344 CC(C)(CF)C(=O)C[C@@H](O)c1ccccc1 1458a_100000138116_100011933945 [0,1,0,0,0,0|2,0,0]=3 437 B16R1.344 CC(C)(CO)C(=O)CC(=O)c1ccccc1 1458a_100000749806_100000211460 [0,1,0,0,0,0|1,0,2]=4 438 B16R1.344 CC(C)(CO)C(=O)CC(O)c1ccccc1 1458a_100000749806_100000185958 [0,1,0,0,0,0|1,0,0]=2 439 B16R1.344 CC(C)(CO)C(=O)C[C@@H](O)c1ccccc1 1458a_100000749806_100011933945 [0,1,0,0,0,0|1,0,0]=2 440 B16R1.344 CC(CC(=O)C(C)(C)CF)c1ccccc1 1458a_100000138116_100000756946 [0,1,0,0,0,0|3,0,0]=4 441 B16R1.344 CC(CC(=O)C(C)(C)CO)c1ccccc1 1458a_100000749806_100000756946 [0,1,0,0,0,0|2,0,0]=3 442 B16R1.344 CC(CN(C)C(C)(C)CO)c1ccccc1 269982a_100015204102_100000756946 [0,1,0,0,0,0|1,0,0]=2 443 B16R1.344 CCC(C)(C)C(=O)CC(C)c1ccccc1 1458a_100000749717_100000756946 [0,1,0,0,0,0|3,0,0]=4 444 B16R1.344 CCC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100000749717_100000185958 [0,1,0,0,0,0|2,0,0]=3 445 B16R1.344 CCC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000749717_100011933945 [0,1,0,0,0,0|2,0,0]=3 446 B16R1.344 CCC(C)(C)N(C)CC(=O)c1ccccc1 269982a_200000755171_100000211460 [0,1,0,0,0,0|1,0,2]=4 447 B16R1.344 CCC(C)(C)N(C)CC(C)c1ccccc1 2230a_200000755171_100000756946 [0,1,0,0,0,0|2,0,0]=3 448 B16R1.344 CCC(C)(C)N(C)CC(C)c1ccccc1 269982a_200000755171_100000756946 [0,1,0,0,0,0|2,0,0]=3 449 B16R1.344 CCC(C)(C)N(C)CC(C)c1ccccc1 270004a_200000755171_100000212034 [0,1,0,0,0,0|2,0,0]=3 450 B16R1.344 CCC(C)(C)N(C)CC(O)c1ccccc1 2230a_200000755171_100000185958 [0,1,0,0,0,0|1,0,0]=2 451 B16R1.344 CCC(C)(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100000032637 [0,1,0,0,0,0|1,0,0]=2 452 B16R1.344 CCC(C)(C)N(C)CS(=O)c1ccccc1 269982a_200000755171_100000031784 [0,1,0,0,0,0|2,0,1]=4 453 B16R1.344 CCC(C)(C)N(C)C[C@@H](O)c1ccccc1 2230a_200000755171_100011933945 [0,1,0,0,0,0|1,0,0]=2 454 B16R1.344 CCC(C)(O)C(=O)CC(O)c1ccccc1 1458a_100011219770_100000185958 [0,1,0,0,0,0|3,0,0]=4 455 B16R1.344 CCC(C)(O)C(=O)C[C@@H](O)c1ccccc1 1458a_100011219770_100011933945 [0,1,0,0,0,0|3,0,0]=4 456 B16R1.344 CN(CC(=O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000211460 [0,1,0,0,0,0|0,0,2]=3 457 B16R1.344 CN(CC(=O)c1ccccn1)C(C)(C)CO 269982a_100015204102_100000027445 [0,1,0,0,0,0|1,0,2]=4 458 B16R1.344 CN(CC(=O)c1cccnc1)C(C)(C)CO 269982a_100015204102_100000757877 [0,1,0,0,0,0|1,0,2]=4 459 B16R1.344 CN(CC(=O)c1ccncc1)C(C)(C)CO 269982a_100015204102_100000027454 [0,1,0,0,0,0|1,0,2]=4 460 B16R1.344 CN(CC(O)c1ccccc1)C(C)(C)C#N 269982a_100000227976_100011162410 [0,1,0,0,0,0|1,0,1]=3 461 B16R1.344 CN(CS(=O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000031784 [0,1,0,0,0,0|1,0,1]=3 462 B16R1.344 COC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100000753492_100000185958 [0,1,0,0,0,0|3,0,0]=4 463 B16R1.344 COC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000753492_100011933945 [0,1,0,0,0,0|3,0,0]=4 464 B16R1.344 C[C@@H](NC(=O)C(C)(C)CO)c1ccccc1 1626a_100000751104_100000749806 [0,1,0,0,0,0|3,0,0]=4 465 B16R1.344 C[C@@H](NC(=O)C(C)(C)CO)c1ccccc1 240690a_100000751104_100000749806 [0,1,0,0,0,0|3,0,0]=4 466 B16R1.344 C[C@@H](NC(=O)C(C)(C)CO)c1ccccc1 527a_100000751104_100000749806 [0,1,0,0,0,0|3,0,0]=4 467 B16R1.347 C#CC(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000054563_100000684486 [0,1,0,0,0,0|1,0,2]=4 468 B16R1.347 CC(C(=O)NC(C)(C)CO)c1ccccn1 240690a_100000210608_100000722050 [0,1,0,0,0,0|2,0,1]=4 469 B16R1.347 CC(C(=O)NC(C)(C)CO)c1ccccn1 527a_100020618417_100000722050 [0,1,0,0,0,0|2,0,1]=4 470 B16R1.347 CC(C)(CO)NC(=O)C(F)c1ccccc1 240690a_100000210608_100000698975 [0,1,0,0,0,0|1,0,1]=3 471 B16R1.347 CC(C)(CO)NC(=O)C(F)c1ccccc1 527a_100020618417_100000698975 [0,1,0,0,0,0|1,0,1]=3 472 B16R1.347 CC(C)(CO)NC(=O)[C@H](O)c1ccccc1 240690a_100000210608_100000684486 [0,1,0,0,0,0|0,0,1]=2 473 B16R1.347 CC(NC(C)(C)CO)C(=O)c1ccccc1 2230a_100000210608_100000239700 [0,1,0,0,0,0|0,0,2]=3 474 B16R1.347 CC(c1ccccc1)N(C)CC(C)(C)CO 2230a_100000732702_100000230085 [0,1,0,0,0,0|3,0,0]=4 475 B16R1.347 CC(c1ccccc1)N(C)CC(C)(C)CO 269982a_100000732702_100000230085 [0,1,0,0,0,0|3,0,0]=4 476 B16R1.347 CCC(C)(C)NC(=O)C(F)c1ccccc1 11a_100000211385_100000698975 [0,1,0,0,0,0|2,0,1]=4 477 B16R1.347 CCC(C)(C)NC(=O)C(F)c1ccccc1 1626a_100000211385_100000698975 [0,1,0,0,0,0|2,0,1]=4 478 B16R1.347 CCC(C)(C)NC(=O)C(F)c1ccccc1 240690a_100000211385_100000698975 [0,1,0,0,0,0|2,0,1]=4 479 B16R1.347 CCC(C)(C)NC(=O)C(F)c1ccccc1 527a_100000211385_100000698975 [0,1,0,0,0,0|2,0,1]=4 480 B16R1.347 CCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 11a_100000211385_100000751047 [0,1,0,0,0,0|2,0,1]=4 481 B16R1.347 CCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 1626a_100000211385_100000751047 [0,1,0,0,0,0|2,0,1]=4 482 B16R1.347 CCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 240690a_100000211385_100000751047 [0,1,0,0,0,0|2,0,1]=4 483 B16R1.347 CCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 527a_100000211385_100000751047 [0,1,0,0,0,0|2,0,1]=4 484 B16R1.347 CCC(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000211385_100000684486 [0,1,0,0,0,0|1,0,1]=3 485 B16R1.347 CCC(C)(C)NC(C)C(=O)c1ccccc1 2230a_100000211385_100000239700 [0,1,0,0,0,0|1,0,2]=4 486 B16R1.347 CN(C(=O)NC(C)(C)CO)c1ccccc1 512a_100000210608_100000210012 [0,1,0,0,0,0|2,0,1]=4 487 B16R1.347 C[C@H](C(=O)NC(C)(C)CO)c1ccccc1 240690a_100000210608_100000751047 [0,1,0,0,0,0|1,0,1]=3 488 B16R1.347 C[C@H](C(=O)NC(C)(C)CO)c1ccccc1 527a_100020618417_100000751047 [0,1,0,0,0,0|1,0,1]=3 489 B16R1.3098 C#CC(C)(CC)NCC(C)c1ccccc1 2230a_100000054623_100000756946 [0,1,0,0,0,0|2,0,1]=4 490 B16R1.3098 C#CC(C)(CC)NCC(C)c1ccccc1 270004a_100000054623_100000212034 [0,1,0,0,0,0|2,0,1]=4 491 B16R1.3098 C#CC(C)(CC)NCC(O)c1ccccc1 2230a_100000054623_100000185958 [0,1,0,0,0,0|1,0,1]=3 492 B16R1.3098 C#CC(C)(CC)NC[C@@H](O)c1ccccc1 2230a_100000054623_100011933945 [0,1,0,0,0,0|1,0,1]=3 493 B16R1.3098 C#CC(C)(CC)OCC(O)c1ccccc1 34a_100000686493_100000185958 [0,1,0,0,0,0|2,0,1]=4 494 B16R1.3098 C#CC(C)(CC)OCC(O)c1ccccc1 7a_100000686493_100000185958 [0,1,0,0,0,0|2,0,1]=4 495 B16R1.3098 C#CC(C)(CC)OC[C@@H](O)c1ccccc1 34a_100000686493_100011933945 [0,1,0,0,0,0|2,0,1]=4 496 B16R1.3098 C#CC(C)(CC)OC[C@@H](O)c1ccccc1 7a_100000686493_100011933945 [0,1,0,0,0,0|2,0,1]=4 497 B16R1.3098 CCC(C)(C#N)NCC(C)c1ccccc1 270004a_100000741185_100000212034 [0,1,0,0,0,0|2,0,1]=4 498 B16R1.3098 CCC(C)(C#N)OCC(O)c1ccccc1 7a_100000760259_100000185958 [0,1,0,0,0,0|2,0,1]=4 499 B16R1.3098 CCC(C)(C#N)OC[C@@H](O)c1ccccc1 7a_100000760259_100011933945 [0,1,0,0,0,0|2,0,1]=4 500 B16R1.3098 CCC(C)(CC)OCC(C)c1ccccc1 7a_100000755174_100000756946 [0,1,0,0,0,0|3,0,0]=4 501 B16R1.3098 CCC(C)(CC)OCC(C)c1ccccc1 7a_100011215166_100009817345 [0,1,0,0,0,0|3,0,0]=4 502 B16R1.3098 CCC(C)(CC)OCC(O)c1ccccc1 7a_100000755174_100000185958 [0,1,0,0,0,0|2,0,0]=3 503 B16R1.3098 CCC(C)(CC)OC[C@@H](O)c1ccccc1 7a_100000755174_100011933945 [0,1,0,0,0,0|2,0,0]=3 504 B16R1.3098 CCC(C)(CC)SCC(C)c1ccccc1 62a_100000756946_100009817345 [0,1,0,0,0,0|3,0,0]=4 505 B16R1.3098 CCC(C)(CC)SCC(C)c1ccccc1 62a_100009817345_100000756946 [0,1,0,0,0,0|3,0,0]=4 506 B16R1.3098 CCC(C)(CC)SCC(O)c1ccccc1 62a_100000185958_100009817345 [0,1,0,0,0,0|2,0,0]=3 507 B16R1.3098 CCC(C)(CC)SCC(O)c1ccccc1 62a_100009817345_100000185958 [0,1,0,0,0,0|2,0,0]=3 508 B16R1.3098 CCC(C)(CC)SC[C@@H](O)c1ccccc1 62a_100009817345_100011933945 [0,1,0,0,0,0|2,0,0]=3 509 B16R1.3098 CCC(C)(CC)SC[C@@H](O)c1ccccc1 62a_100011933945_100009817345 [0,1,0,0,0,0|2,0,0]=3 510 B16R1.10308 C#CC(C)(C)NCC(F)(F)c1ccccc1 34a_100000054563_100009875531 [0,1,0,0,0,0|2,0,1]=4 511 B16R1.10308 C#CC(C)(C)NCC(F)(F)c1ccccc1 34a_100000717977_100000038118 [0,1,0,0,0,0|2,0,1]=4 512 B16R1.10308 CC(C)(C#N)NCC(F)(F)c1ccccc1 34a_100000717977_100011162410 [0,1,0,0,0,0|2,0,1]=4 513 B16R1.10308 CC(C)(CO)CNC(C)(C)c1ccccc1 2230a_100020635058_100000034625 [0,1,0,0,0,0|3,0,0]=4 514 B16R1.10308 CC(C)(CO)COC(C)(C)c1ccccc1 7a_100000694644_100009813988 [0,1,0,0,0,0|3,0,0]=4 515 B16R1.10308 CC(C)(CO)CSC(C)(C)c1ccccc1 62a_100000034625_100009813988 [0,1,0,0,0,0|3,0,0]=4 516 B16R1.10308 CC(C)(CO)CSC(C)(C)c1ccccc1 62a_100009813988_100000034625 [0,1,0,0,0,0|3,0,0]=4 517 B16R1.10308 CC(C)(CO)CSC(F)(F)c1ccccc1 62a_100009813988_100000036403 [0,1,0,0,0,0|3,0,0]=4 518 B16R1.10308 CC(C)(CO)NC[Si](C)(C)c1ccccc1 2230a_100000210608_100000038972 [0,1,0,0,0,0|1,1,0]=3 519 B16R1.10308 CCC(C)(C)NC[Si](C)(C)c1ccccc1 2230a_100000211385_100000038972 [0,1,0,0,0,0|2,1,0]=4 520 B16R1.10308 CCC(C)(C)OCC(C)(C)c1ccccc1 7a_100000747608_100000210677 [0,1,0,0,0,0|3,0,0]=4 521 B16R1.10308 CCC(C)(C)SCC(C)(C)c1ccccc1 62a_100000032637_100000703224 [0,1,0,0,0,0|3,0,0]=4 522 B16R1.10308 CCC(C)(C)SCC(C)(C)c1ccccc1 62a_100000703224_100000032637 [0,1,0,0,0,0|3,0,0]=4 523 B16R1.10308 CCC(C)(C)SCC(F)(F)c1ccccc1 62a_100000032637_100009875531 [0,1,0,0,0,0|3,0,0]=4 524 B16R1.10308 CCC(C)(C)SCC(F)(F)c1ccccc1 62a_100009875531_100000032637 [0,1,0,0,0,0|3,0,0]=4 525 B16R1.10467 C#CC(C)(C)NCC(O)c1ccccc1Cl 34a_200000759403_100000038118 [0,1,0,0,0,0|1,0,1]=3 526 B16R1.10467 CC(C)(C#N)NCC(O)c1ccccc1Cl 34a_200000759403_100011162410 [0,1,0,0,0,0|1,0,1]=3 527 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Br 269862a_100020635058_100000187085 [0,1,0,0,0,0|3,0,0]=4 528 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Cl 2230a_100020635058_100000181259 [0,1,0,0,0,0|3,0,0]=4 529 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Cl 269862a_100020635058_100000210134 [0,1,0,0,0,0|3,0,0]=4 530 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Cl 34a_100000174978_100009813988 [0,1,0,0,0,0|3,0,0]=4 531 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1F 2230a_100020635058_200000741388 [0,1,0,0,0,0|3,0,0]=4 532 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1F 269862a_100020635058_100000210632 [0,1,0,0,0,0|3,0,0]=4 533 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1F 34a_100000181408_100009813988 [0,1,0,0,0,0|3,0,0]=4 534 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1I 269862a_100020635058_100000751169 [0,1,0,0,0,0|3,0,0]=4 535 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1Br 34a_100000702211_100009813988 [0,1,0,0,0,0|3,0,0]=4 536 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1Br 7a_100000702211_100009813988 [0,1,0,0,0,0|3,0,0]=4 537 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1Cl 34a_100000740796_100009813988 [0,1,0,0,0,0|3,0,0]=4 538 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1Cl 7a_100000740796_100009813988 [0,1,0,0,0,0|3,0,0]=4 539 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1F 34a_100000697922_100009813988 [0,1,0,0,0,0|3,0,0]=4 540 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1F 7a_100000697922_100009813988 [0,1,0,0,0,0|3,0,0]=4 541 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1N 7a_100011405641_100009813988 [0,1,0,0,0,0|3,0,0]=4 542 B16R1.10467 CC(SCC(C)(C)CO)c1ccccc1Cl 62a_100000181259_100009813988 [0,1,0,0,0,0|3,0,0]=4 543 B16R1.10467 CC(SCC(C)(C)CO)c1ccccc1Cl 62a_100009813988_100000181259 [0,1,0,0,0,0|3,0,0]=4 544 B16R1.10467 CC(SCC(C)(C)CO)c1ccccc1F 62a_100009813988_200000741388 [0,1,0,0,0,0|3,0,0]=4 545 B16R1.10467 CC(SCC(C)(C)CO)c1ccccc1F 62a_200000741388_100009813988 [0,1,0,0,0,0|3,0,0]=4 546 B16R1.10467 CCC(C)(C)NCC(=O)c1ccccc1C 2230a_100000211385_100000741374 [0,1,0,0,0,0|1,0,2]=4 547 B16R1.10467 Cc1ccccc1C(=O)CNC(C)(C)CO 2230a_100000210608_100000741374 [0,1,0,0,0,0|0,0,2]=3 548 B16R1.10467 Cc1ccccc1C(C)NCC(C)(C)CO 269862a_100020635058_100000211656 [0,1,0,0,0,0|3,0,0]=4 549 B16R1.10467 Cc1ccccc1C(C)NCC(C)(C)CO 34a_100000181355_100009813988 [0,1,0,0,0,0|3,0,0]=4 550 B16R1.10467 Cc1ccccc1C(C)OCC(C)(C)CO 34a_100000742021_100009813988 [0,1,0,0,0,0|3,0,0]=4 551 B16R1.10467 Cc1ccccc1C(C)OCC(C)(C)CO 7a_100000742021_100009813988 [0,1,0,0,0,0|3,0,0]=4 552 B16R1.12439 CC(=O)C(C)(C)OCC(O)c1ccccc1 34a_100000747739_100000185958 [0,1,0,0,0,0|1,0,2]=4 553 B16R1.12439 CC(=O)C(C)(C)OCC(O)c1ccccc1 7a_100000747739_100000185958 [0,1,0,0,0,0|1,0,2]=4 554 B16R1.12439 CC(=O)C(C)(C)OC[C@@H](O)c1ccccc1 34a_100000747739_100011933945 [0,1,0,0,0,0|1,0,2]=4 555 B16R1.12439 CC(=O)C(C)(C)OC[C@@H](O)c1ccccc1 7a_100000747739_100011933945 [0,1,0,0,0,0|1,0,2]=4 556 B16R1.12439 CC(=O)C(C)(C)SCC(O)c1ccccc1 62a_100000075568_100000185958 [0,1,0,0,0,0|1,0,2]=4 557 B16R1.12439 CC(=O)C(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000075568 [0,1,0,0,0,0|1,0,2]=4 558 B16R1.12439 CC(=O)C(C)(C)SC[C@@H](O)c1ccccc1 62a_100000075568_100011933945 [0,1,0,0,0,0|1,0,2]=4 559 B16R1.12439 CC(=O)C(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000075568 [0,1,0,0,0,0|1,0,2]=4 560 B16R1.12439 CC(C)(NCC(O)c1ccccc1)C(=O)N 2230a_100000210709_100000702505 [0,1,0,0,0,0|0,0,2]=3 561 B16R1.12439 CC(C)(NCC(O)c1ccccc1)C(=O)N 2230a_100000743658_100000185958 [0,1,0,0,0,0|0,0,2]=3 562 B16R1.12439 CC(C)(NCC(O)c1ccccc1)C(=O)N 34a_100000743658_100000185958 [0,1,0,0,0,0|0,0,2]=3 563 B16R1.12439 CC(C)(NCC(O)c1ccccn1)C(=O)N 2230a_100000691469_100000702505 [0,1,0,0,0,0|1,0,2]=4 564 B16R1.12439 CC(C)(NCC(O)c1cccnc1)C(=O)N 2230a_100020605170_100000702505 [0,1,0,0,0,0|1,0,2]=4 565 B16R1.12439 CC(C)(NC[C@@H](O)c1ccccc1)C(=O)N 2230a_100000743658_100011933945 [0,1,0,0,0,0|0,0,2]=3 566 B16R1.12439 CC(C)(NC[C@@H](O)c1ccccc1)C(=O)N 34a_100000743658_100011933945 [0,1,0,0,0,0|0,0,2]=3 567 B16R1.12439 CC(C)(OCC(O)c1ccccc1)C(=O)N 34a_100011626353_100000185958 [0,1,0,0,0,0|1,0,2]=4 568 B16R1.12439 CC(C)(OCC(O)c1ccccc1)C(=O)N 7a_100011626353_100000185958 [0,1,0,0,0,0|1,0,2]=4 569 B16R1.12439 CC(C)(OC[C@@H](O)c1ccccc1)C(=O)N 34a_100011626353_100011933945 [0,1,0,0,0,0|1,0,2]=4 570 B16R1.12439 CC(C)(OC[C@@H](O)c1ccccc1)C(=O)N 7a_100011626353_100011933945 [0,1,0,0,0,0|1,0,2]=4 571 B16R1.12439 CC(C)(SCC(O)c1ccccc1)C(=O)N 62a_100000185958_100000702505 [0,1,0,0,0,0|1,0,2]=4 572 B16R1.12439 CC(C)(SCC(O)c1ccccc1)C(=O)N 62a_100000702505_100000185958 [0,1,0,0,0,0|1,0,2]=4 573 B16R1.12439 CC(C)(SCC(O)c1ccccc1)[N+](=O)[O-] 62a_100000185958_200009813997 [0,1,0,0,0,0|2,0,1]=4 574 B16R1.12439 CC(C)(SCC(O)c1ccccc1)[N+](=O)[O-] 62a_200009813997_100000185958 [0,1,0,0,0,0|2,0,1]=4 575 B16R1.12439 CC(C)(SC[C@@H](O)c1ccccc1)C(=O)N 62a_100000702505_100011933945 [0,1,0,0,0,0|1,0,2]=4 576 B16R1.12439 CC(C)(SC[C@@H](O)c1ccccc1)C(=O)N 62a_100011933945_100000702505 [0,1,0,0,0,0|1,0,2]=4 577 B16R1.12439 CC(C)(SC[C@@H](O)c1ccccc1)[N+](=O)[O-] 62a_100011933945_200009813997 [0,1,0,0,0,0|2,0,1]=4 578 B16R1.12439 CC(C)(SC[C@@H](O)c1ccccc1)[N+](=O)[O-] 62a_200009813997_100011933945 [0,1,0,0,0,0|2,0,1]=4 579 B16R1.12439 CC(C)C(C)(C)NCC(O)c1ccccc1 2230a_200160471154_100000185958 [0,1,0,0,0,0|1,0,0]=2 580 B16R1.12439 CC(C)C(C)(C)NC[C@@H](O)c1ccccc1 2230a_200160471154_100011933945 [0,1,0,0,0,0|1,0,0]=2 581 B16R1.12439 CC(C)C(C)(C)OCC(O)c1ccccc1 7a_100011215261_100000185958 [0,1,0,0,0,0|2,0,0]=3 582 B16R1.12439 CC(C)C(C)(C)OC[C@@H](O)c1ccccc1 7a_100011215261_100011933945 [0,1,0,0,0,0|2,0,0]=3 583 B16R1.12439 CC(CNC(C)(C)C(=O)N)c1ccccc1 2230a_100000701038_100000702505 [0,1,0,0,0,0|1,0,2]=4 584 B16R1.12439 CC(CNC(C)(C)C(=O)N)c1ccccc1 2230a_100000743658_100000756946 [0,1,0,0,0,0|1,0,2]=4 585 B16R1.12439 CC(CNC(C)(C)C(=O)N)c1ccccc1 34a_100000701038_100000702505 [0,1,0,0,0,0|1,0,2]=4 586 B16R1.12439 CC(CNC(C)(C)C(=O)N)c1ccccc1 34a_100000743658_100000756946 [0,1,0,0,0,0|1,0,2]=4 587 B16R1.12439 CC(CNC(C)(C)C(C)C)c1ccccc1 2230a_200160471154_100000756946 [0,1,0,0,0,0|2,0,0]=3 588 B16R1.12439 CC(CNC(C)(C)C(C)C)c1ccccc1 270004a_200160471154_100000212034 [0,1,0,0,0,0|2,0,0]=3 589 B16R1.12439 CC(COC(C)(C)C(C)C)c1ccccc1 7a_100011215261_100000756946 [0,1,0,0,0,0|3,0,0]=4 590 B16R1.12439 CN(C)C(C)(C)SCC(O)c1ccccc1 62a_100000185958_217856628674 [0,1,0,0,0,0|3,0,0]=4 591 B16R1.12439 CN(C)C(C)(C)SCC(O)c1ccccc1 62a_217856628674_100000185958 [0,1,0,0,0,0|3,0,0]=4 592 B16R1.12439 CN(C)C(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_217856628674 [0,1,0,0,0,0|3,0,0]=4 593 B16R1.12439 CN(C)C(C)(C)SC[C@@H](O)c1ccccc1 62a_217856628674_100011933945 [0,1,0,0,0,0|3,0,0]=4 594 B16R1.13675 C=CCC(C)(C)OCC(C)c1ccccc1 7a_100011995686_100000756946 [0,1,0,0,0,0|3,0,0]=4 595 B16R1.13675 C=CCC(C)(C)OCC(O)c1ccccc1 7a_100011995686_100000185958 [0,1,0,0,0,0|2,0,0]=3 596 B16R1.13675 C=CCC(C)(C)OC[C@@H](O)c1ccccc1 7a_100011995686_100011933945 [0,1,0,0,0,0|2,0,0]=3 597 B16R1.13675 CC(C)(CCBr)OCC(O)c1ccccc1 7a_100000702414_100000185958 [0,1,0,0,0,0|2,0,0]=3 598 B16R1.13675 CC(C)(CCBr)OC[C@@H](O)c1ccccc1 7a_100000702414_100011933945 [0,1,0,0,0,0|2,0,0]=3 599 B16R1.13675 CC(CNC(C)(C)CCO)c1ccccc1 270004a_100000763138_100000212034 [0,1,0,0,0,0|1,0,0]=2 600 B16R1.13675 CC(COC(C)(C)CCBr)c1ccccc1 7a_100000702414_100000756946 [0,1,0,0,0,0|3,0,0]=4 601 B16R1.13675 CCCC(C)(C)OCC(C)c1ccccc1 7a_100000748436_100000756946 [0,1,0,0,0,0|3,0,0]=4 602 B16R1.13675 CCCC(C)(C)OCC(O)c1ccccc1 7a_100000748436_100000185958 [0,1,0,0,0,0|2,0,0]=3 603 B16R1.13675 CCCC(C)(C)OC[C@@H](O)c1ccccc1 7a_100000748436_100011933945 [0,1,0,0,0,0|2,0,0]=3 604 B16R1.13675 COCC(C)(C)CNC(C)c1ccccc1 2230a_100000734190_100000230085 [0,1,0,0,0,0|3,0,0]=4 605 B16R1.13675 COCC(C)(C)CNC(C)c1ccccc1 269862a_100000734190_100000185851 [0,1,0,0,0,0|3,0,0]=4 606 B16R1.13675 COCC(C)(C)NCC(C)c1ccccc1 2230a_100000752728_100000756946 [0,1,0,0,0,0|1,0,0]=2 607 B16R1.13675 COCC(C)(C)NCC(C)c1ccccc1 270004a_100000752728_100000212034 [0,1,0,0,0,0|1,0,0]=2 608 B16R1.13675 COCC(C)(C)NCC(O)c1ccccc1 2230a_100000752728_100000185958 [0,1,0,0,0,0|0,0,0]=1 609 B16R1.13675 COCC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100000752728_100011933945 [0,1,0,0,0,0|0,0,0]=1 610 B16R1.13675 CSCC(C)(C)NCC(=O)c1ccccc1 7a_100000759623_100000211460 [0,1,0,0,0,0|0,1,2]=4 611 B16R1.13675 CSCC(C)(C)NCC(C)c1ccccc1 2230a_100000759623_100000756946 [0,1,0,0,0,0|1,1,0]=3 612 B16R1.13675 CSCC(C)(C)NCC(C)c1ccccc1 270004a_100000759623_100000212034 [0,1,0,0,0,0|1,1,0]=3 613 B16R1.13675 CSCC(C)(C)NCC(C)c1ccccc1 7a_100000759623_100000756946 [0,1,0,0,0,0|1,1,0]=3 614 B16R1.13675 CSCC(C)(C)NCC(O)c1ccccc1 2230a_100000759623_100000185958 [0,1,0,0,0,0|0,1,0]=2 615 B16R1.13675 CSCC(C)(C)NCC(O)c1ccccc1 7a_100000759623_100000185958 [0,1,0,0,0,0|0,1,0]=2 616 B16R1.13675 CSCC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100000759623_100011933945 [0,1,0,0,0,0|0,1,0]=2 617 B16R1.13675 CSCC(C)(C)NC[C@@H](O)c1ccccc1 7a_100000759623_100011933945 [0,1,0,0,0,0|0,1,0]=2 618 B16R1.14311 C#CC(C)(C)NCC(CC)c1ccccc1 270004a_100000054563_100000753018 [0,1,0,0,0,0|2,0,1]=4 619 B16R1.14311 C#CC(C)(C)OCC(OC)c1ccccc1 34a_100011215540_100000038118 [0,1,0,0,0,0|2,0,1]=4 620 B16R1.14311 C#CC(OCC(C)(C)CO)c1ccccc1 34a_100011219616_100009813988 [0,1,0,0,0,0|3,0,0]=4 621 B16R1.14311 C#CC(OCC(C)(C)CO)c1ccccc1 7a_100011219616_100009813988 [0,1,0,0,0,0|3,0,0]=4 622 B16R1.14311 C=CC(NCC(C)(C)CO)c1ccccc1 2230a_100020635058_200000085779 [0,1,0,0,0,0|3,0,0]=4 623 B16R1.14311 C=CC(OCC(C)(C)CO)c1ccccc1 34a_100011215659_100009813988 [0,1,0,0,0,0|3,0,0]=4 624 B16R1.14311 C=CC(OCC(C)(C)CO)c1ccccc1 7a_100011215659_100009813988 [0,1,0,0,0,0|3,0,0]=4 625 B16R1.14311 C=CC(SCC(C)(C)CO)c1ccccc1 62a_100009813988_200000085779 [0,1,0,0,0,0|3,0,0]=4 626 B16R1.14311 C=CC(SCC(C)(C)CO)c1ccccc1 62a_200000085779_100009813988 [0,1,0,0,0,0|3,0,0]=4 627 B16R1.14311 CC(C)(CO)CN[C@H](CO)c1ccccc1 34a_100000751927_100009813988 [0,1,0,0,0,0|2,0,0]=3 628 B16R1.14311 CC(C)(CO)COC(C#N)c1ccccc1 7a_100011217353_100009813988 [0,1,0,0,0,0|3,0,0]=4 629 B16R1.14311 CC(C)(CO)COC(CBr)c1ccccc1 7a_100000185958_100009813988 [0,1,0,0,0,0|3,0,0]=4 630 B16R1.14311 CC(C)(CO)COC(CN)c1ccccc1 34a_100000210709_100009813988 [0,1,0,0,0,0|3,0,0]=4 631 B16R1.14311 CC(C)(CO)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009813988 [0,1,0,0,0,0|3,0,0]=4 632 B16R1.14311 CC(C)(CO)CO[C@H](CCl)c1ccccc1 7a_100011933945_100009813988 [0,1,0,0,0,0|3,0,0]=4 633 B16R1.14311 CCC(C)(C)OCC(OC)c1ccccc1 7a_100011215540_100000210677 [0,1,0,0,0,0|2,0,0]=3 634 B16R1.14311 CCC(CNC(C)(C)CC)c1ccccc1 270004a_100000211385_100000753018 [0,1,0,0,0,0|2,0,0]=3 635 B16R1.14311 CCC(CNC(C)(C)CO)c1ccccc1 270004a_100000210608_100000753018 [0,1,0,0,0,0|1,0,0]=2 636 B16R1.14311 CCC(COC(C)(C)CC)c1ccccc1 7a_100000752371_100000210677 [0,1,0,0,0,0|3,0,0]=4 637 B16R1.14311 CCC(NCC(C)(C)CO)c1ccccc1 269862a_100020635058_100000210124 [0,1,0,0,0,0|3,0,0]=4 638 B16R1.14311 CCC(OCC(C)(C)CO)c1ccccc1 34a_100000698172_100009813988 [0,1,0,0,0,0|3,0,0]=4 639 B16R1.14311 CCC(OCC(C)(C)CO)c1ccccc1 7a_100000698172_100009813988 [0,1,0,0,0,0|3,0,0]=4 640 B16R1.14311 COC(COC(C)(C)C#N)c1ccccc1 34a_100011215540_100011162410 [0,1,0,0,0,0|2,0,1]=4 641 B16R1.14311 COC(COC(C)(C)C#N)c1ccccc1 7a_100011215540_100011162410 [0,1,0,0,0,0|2,0,1]=4 642 B16R2.3859 CCC(C)(C)N1CC(C1)c2cccnc2 269982a_100015183634_100000032637 [0,0,0,1,0,0|3,0,0]=4 643 B16R2.3859 CCC(C)(C)N1CC(C1)c2ccncc2 269982a_100015185986_100000032637 [0,0,0,1,0,0|3,0,0]=4 644 B16R2.3883 C#CC(C)(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000038118 [0,0,0,1,0,0|2,0,1]=4 645 B16R2.3883 CC(C)(C#N)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011162410 [0,0,0,1,0,0|2,0,1]=4 646 B16R2.8201 CC(c1ccccc1)N2CC(C2)(C)CO 2230a_100015203900_100000230085 [0,0,0,1,0,0|3,0,0]=4 647 B16R2.8201 CC(c1ccccc1)N2CC(C2)(C)CO 269982a_100015203900_100000230085 [0,0,0,1,0,0|3,0,0]=4 648 B16R2.8275 C#CC1(CC1)NCC(C)c2ccccc2 270004a_100020639468_100000212034 [0,0,0,1,0,0|2,0,1]=4 649 B16R2.8275 C#CC1(CC1)NCC(C)c2ccccc2 34a_100020639468_100000756946 [0,0,0,1,0,0|2,0,1]=4 650 B16R2.8275 C#CC1(CC1)NCC(O)c2ccccc2 34a_100020639468_100000185958 [0,0,0,1,0,0|1,0,1]=3 651 B16R2.8275 C#CC1(CC1)NC[C@@H](O)c2ccccc2 34a_100020639468_100011933945 [0,0,0,1,0,0|1,0,1]=3 652 B16R2.8275 CC(CNC1(CC1)C#N)c2ccccc2 2230a_100000756336_100000756946 [0,0,0,1,0,0|2,0,1]=4 653 B16R2.8275 CC(CNC1(CC1)C#N)c2ccccc2 34a_100000701038_100009889376 [0,0,0,1,0,0|2,0,1]=4 654 B16R2.8275 CC(CNC1(CC1)C#N)c2ccccc2 34a_100000756336_100000756946 [0,0,0,1,0,0|2,0,1]=4 655 B16R2.8275 CC(CNC1(CC1)CF)c2ccccc2 2230a_100000054953_100000756946 [0,0,0,1,0,0|2,0,0]=3 656 B16R2.8275 CC(CNC1(CC1)CF)c2ccccc2 34a_100000054953_100000756946 [0,0,0,1,0,0|2,0,0]=3 657 B16R2.8275 CC(CNC1(CC1)CO)c2ccccc2 270004a_100000692850_100000212034 [0,0,0,1,0,0|1,0,0]=2 658 B16R2.8275 CC(NCC1(CC1)CO)c2ccccc2 2230a_100000757901_100000230085 [0,0,0,1,0,0|3,0,0]=4 659 B16R2.8275 CC(NCC1(CC1)CO)c2ccccc2 269862a_100000757901_100000185851 [0,0,0,1,0,0|3,0,0]=4 660 B16R2.8275 CCC1(CC1)NCC(C)c2ccccc2 2230a_100000732774_100000756946 [0,0,0,1,0,0|2,0,0]=3 661 B16R2.8275 CCC1(CC1)NCC(O)c2ccccc2 2230a_100000732774_100000185958 [0,0,0,1,0,0|1,0,0]=2 662 B16R2.8275 CCC1(CC1)NC[C@@H](O)c2ccccc2 2230a_100000732774_100011933945 [0,0,0,1,0,0|1,0,0]=2 663 B16R2.8275 N#CC1(CC1)NCC(O)c2ccccc2 2230a_100000756336_100000185958 [0,0,0,1,0,0|1,0,1]=3 664 B16R2.8275 N#CC1(CC1)NCC(O)c2ccccc2 34a_100000756336_100000185958 [0,0,0,1,0,0|1,0,1]=3 665 B16R2.8275 N#CC1(CC1)NC[C@@H](O)c2ccccc2 2230a_100000756336_100011933945 [0,0,0,1,0,0|1,0,1]=3 666 B16R2.8275 N#CC1(CC1)NC[C@@H](O)c2ccccc2 34a_100000756336_100011933945 [0,0,0,1,0,0|1,0,1]=3 667 B16R2.8275 N#CC1(CC1)SCC(O)c2ccccc2 62a_100000185958_100009889376 [0,0,0,1,0,0|2,0,1]=4 668 B16R2.8275 N#CC1(CC1)SCC(O)c2ccccc2 62a_100009889376_100000185958 [0,0,0,1,0,0|2,0,1]=4 669 B16R2.8275 N#CC1(CC1)SC[C@@H](O)c2ccccc2 62a_100009889376_100011933945 [0,0,0,1,0,0|2,0,1]=4 670 B16R2.8275 N#CC1(CC1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009889376 [0,0,0,1,0,0|2,0,1]=4 671 B16R2.8275 OC(CNC1(CC1)CF)c2ccccc2 2230a_100000054953_100000185958 [0,0,0,1,0,0|1,0,0]=2 672 B16R2.8275 OC(CNC1(CC1)CF)c2ccccc2 34a_100000054953_100000185958 [0,0,0,1,0,0|1,0,0]=2 673 B16R2.8275 O[C@H](CNC1(CC1)CF)c2ccccc2 2230a_100000054953_100011933945 [0,0,0,1,0,0|1,0,0]=2 674 B16R2.8275 O[C@H](CNC1(CC1)CF)c2ccccc2 34a_100000054953_100011933945 [0,0,0,1,0,0|1,0,0]=2 675 B16R2.121875 CC(C)(CO)CSC1Cc2c1cccc2 62a_100009813401_100009813988 [0,0,0,1,0,0|3,0,0]=4 676 B16R2.121875 CC(C)(CO)CSC1Cc2c1cccc2 62a_100009813988_100009813401 [0,0,0,1,0,0|3,0,0]=4 677 B16R2.121875 CCC(C)(C)OCC1Cc2c1cccc2 7a_100012476685_100000210677 [0,0,0,1,0,0|3,0,0]=4 678 B16R2.147299 CC(CNC1(CCC1)C)c2ccccc2 2230a_100000692455_100000756946 [0,0,0,1,0,0|2,0,0]=3 679 B16R2.147299 CC(CNC1(CCC1)C)c2ccccc2 270004a_100000692455_100000212034 [0,0,0,1,0,0|2,0,0]=3 680 B16R2.147299 CC(CNC1(CCC1)C)c2ccccc2 34a_100000692455_100000756946 [0,0,0,1,0,0|2,0,0]=3 681 B16R2.147299 CC(CNC1(COC1)C)c2ccccc2 2230a_100000732644_100000756946 [0,0,0,1,0,0|1,0,0]=2 682 B16R2.147299 CC(CNC1(COC1)C)c2ccccc2 270004a_100000732644_100000212034 [0,0,0,1,0,0|1,0,0]=2 683 B16R2.147299 CC(COC1(CCC1)C)c2ccccc2 34a_100000759064_100000756946 [0,0,0,1,0,0|3,0,0]=4 684 B16R2.147299 CC(COC1(CCC1)C)c2ccccc2 7a_100000759064_100000756946 [0,0,0,1,0,0|3,0,0]=4 685 B16R2.147299 CC(COC1(CSC1)C)c2ccccc2 7a_100016018533_100000756946 [0,0,0,1,0,0|2,1,0]=4 686 B16R2.147299 CC(NCC1(COC1)C)c2ccccc2 2230a_100020631278_100000230085 [0,0,0,1,0,0|3,0,0]=4 687 B16R2.147299 CC(NCC1(COC1)C)c2ccccc2 269862a_100020631278_100000185851 [0,0,0,1,0,0|3,0,0]=4 688 B16R2.147299 CC(SCC1(COC1)C)c2ccccc2 62a_100000230085_100009817586 [0,0,0,1,0,0|3,0,0]=4 689 B16R2.147299 CC(SCC1(COC1)C)c2ccccc2 62a_100009817586_100000230085 [0,0,0,1,0,0|3,0,0]=4 690 B16R2.147299 CC1(CCC1)NCC(O)c2ccccc2 2230a_100000692455_100000185958 [0,0,0,1,0,0|1,0,0]=2 691 B16R2.147299 CC1(CCC1)NCC(O)c2ccccc2 34a_100000692455_100000185958 [0,0,0,1,0,0|1,0,0]=2 692 B16R2.147299 CC1(CCC1)NC[C@@H](O)c2ccccc2 2230a_100000692455_100011933945 [0,0,0,1,0,0|1,0,0]=2 693 B16R2.147299 CC1(CCC1)NC[C@@H](O)c2ccccc2 34a_100000692455_100011933945 [0,0,0,1,0,0|1,0,0]=2 694 B16R2.147299 CC1(CCC1)OCC(O)c2ccccc2 34a_100000759064_100000185958 [0,0,0,1,0,0|2,0,0]=3 695 B16R2.147299 CC1(CCC1)OCC(O)c2ccccc2 7a_100000759064_100000185958 [0,0,0,1,0,0|2,0,0]=3 696 B16R2.147299 CC1(CCC1)OC[C@@H](O)c2ccccc2 34a_100000759064_100011933945 [0,0,0,1,0,0|2,0,0]=3 697 B16R2.147299 CC1(CCC1)OC[C@@H](O)c2ccccc2 7a_100000759064_100011933945 [0,0,0,1,0,0|2,0,0]=3 698 B16R2.147299 CC1(COC1)NCC(O)c2ccccc2 2230a_100000732644_100000185958 [0,0,0,1,0,0|0,0,0]=1 699 B16R2.147299 CC1(COC1)NC[C@@H](O)c2ccccc2 2230a_100000732644_100011933945 [0,0,0,1,0,0|0,0,0]=1 700 B16R2.147299 CC1(CSC1)OCC(O)c2ccccc2 7a_100016018533_100000185958 [0,0,0,1,0,0|1,1,0]=3 701 B16R2.147299 CC1(CSC1)OC[C@@H](O)c2ccccc2 7a_100016018533_100011933945 [0,0,0,1,0,0|1,1,0]=3 702 B16R2.147299 C[C@@H](NCC1(COC1)C)c2ccccc2 2230a_100000751104_100000066812 [0,0,0,1,0,0|3,0,0]=4 703 B16R2.147299 C[C@@H](NCC1(COC1)C)c2ccccc2 269862a_100000751104_100000050806 [0,0,0,1,0,0|3,0,0]=4 704 B16R2.147299 C[C@@H](OCC1(COC1)C)c2ccccc2 34a_100000761318_100009817586 [0,0,0,1,0,0|3,0,0]=4 705 B16R2.147299 C[C@@H](OCC1(COC1)C)c2ccccc2 7a_100000761318_100009817586 [0,0,0,1,0,0|3,0,0]=4 706 B14R1.290 C#CC(C)(C)NC(C)c1ccccc1 34a_100000054563_100000211855 [0,0,0,0,1,0|2,0,1]=4 707 B14R1.290 CC(C)(CO)NC(=O)c1ccccc1 240690a_100000210608_100000185807 [0,0,0,0,1,0|0,0,2]=3 708 B14R1.290 CC(C)(CO)NC(=O)c1ccccc1 527a_100020618417_100000185807 [0,0,0,0,1,0|0,0,2]=3 709 B14R1.290 CC(NC(C)(C)CO)c1ccccc1 2230a_100000210608_100000230085 [0,0,0,0,1,0|1,0,0]=2 710 B14R1.290 CC(NC(C)(C)CO)c1cnccn1 2230a_100000210608_200000703233 [0,0,0,0,1,0|3,0,0]=4 711 B14R1.290 CC(NC(C)(C)CO)c1ncccn1 270004a_100000210608_100011350828 [0,0,0,0,1,0|3,0,0]=4 712 B14R1.290 CC(OC(C)(C)CCl)c1ccccc1 7a_100000764493_100000230085 [0,0,0,0,1,0|3,0,0]=4 713 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 11a_100000211385_100000185807 [0,0,0,0,1,0|1,0,2]=4 714 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 1626a_100000211385_100000185807 [0,0,0,0,1,0|1,0,2]=4 715 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 240690a_100000211385_100000185807 [0,0,0,0,1,0|1,0,2]=4 716 B14R1.290 CCC(C)(C)NC(=O)c1ccccc1 527a_100000211385_100000185807 [0,0,0,0,1,0|1,0,2]=4 717 B14R1.290 CCC(C)(C)NC(C)c1ccccc1 2230a_100000211385_100000230085 [0,0,0,0,1,0|2,0,0]=3 718 B14R1.290 CCC(C)(C)OC(C)c1ccccc1 7a_100000210230_100000230085 [0,0,0,0,1,0|3,0,0]=4 719 B14R1.290 CCC(C)(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210677 [0,0,0,0,1,0|3,0,0]=4 720 B14R1.290 CCC(C)(C)SC(C)c1ccccc1 62a_100000032637_100000230085 [0,0,0,0,1,0|3,0,0]=4 721 B14R1.290 CCC(C)(C)SC(C)c1ccccc1 62a_100000230085_100000032637 [0,0,0,0,1,0|3,0,0]=4 722 B14R1.290 CN(CC(C)(C)CO)c1ccccc1 34a_100000210012_100009813988 [0,0,0,0,1,0|2,0,0]=3 723 B14R1.301 C#CC(C)(C)NCC(O)c1ccsc1 34a_100000758718_100000038118 [0,0,0,0,1,0|2,0,1]=4 724 B14R1.301 CC(C)(C#N)NCC(O)c1ccsc1 34a_100000758718_100011162410 [0,0,0,0,1,0|2,0,1]=4 725 B14R1.301 CC(C)(CO)NCC(=O)c1cccs1 2230a_100000210608_100000211436 [0,0,0,0,1,0|1,0,2]=4 726 B14R1.301 CC(C)(CO)NCC(=O)c1ccsc1 2230a_100000210608_100011219462 [0,0,0,0,1,0|1,0,2]=4 727 B16R1.355 C#CC(C)(C)NCCC(C)c1ccccc1 270004a_100000054563_100000189432 [0,0,0,0,0,1|2,0,1]=4 728 B16R1.355 C#CC(C)(C)NCC[C@@H](O)c1ccccc1 34a_100000054563_100000729684 [0,0,0,0,0,1|1,0,1]=3 729 B16R1.355 C#CC(C)(C)OCC[C@@H](O)c1ccccc1 34a_100000189450_100000729684 [0,0,0,0,0,1|2,0,1]=4 730 B16R1.355 C#CC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100000189450_100000729684 [0,0,0,0,0,1|2,0,1]=4 731 B16R1.355 C#CC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000038118_100000729684 [0,0,0,0,0,1|2,0,1]=4 732 B16R1.355 C#CC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000038118 [0,0,0,0,0,1|2,0,1]=4 733 B16R1.355 C=CC(C)(C)OCC[C@@H](O)c1ccccc1 34a_100011215311_100000729684 [0,0,0,0,0,1|2,0,1]=4 734 B16R1.355 C=CC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100011215311_100000729684 [0,0,0,0,0,1|2,0,1]=4 735 B16R1.355 C=C[Si](C)(C)CNCC(O)c1ccccc1 2230a_100000210709_100000038793 [0,0,0,0,0,1|1,1,1]=4 736 B16R1.355 CC(C)(C#N)OCC[C@@H](O)c1ccccc1 34a_200015195151_100000729684 [0,0,0,0,0,1|2,0,1]=4 737 B16R1.355 CC(C)(C#N)SCC[C@@H](O)c1ccccc1 62a_100000729684_100011162410 [0,0,0,0,0,1|2,0,1]=4 738 B16R1.355 CC(C)(C#N)SCC[C@@H](O)c1ccccc1 62a_100011162410_100000729684 [0,0,0,0,0,1|2,0,1]=4 739 B16R1.355 CC(C)(CCl)COCC(O)c1ccccc1 7a_100011217199_100000185958 [0,0,0,0,0,1|2,0,0]=3 740 B16R1.355 CC(C)(CCl)COC[C@@H](O)c1ccccc1 7a_100011217199_100011933945 [0,0,0,0,0,1|2,0,0]=3 741 B16R1.355 CC(C)(CCl)OCC[C@@H](O)c1ccccc1 7a_100000764493_100000729684 [0,0,0,0,0,1|2,0,0]=3 742 B16R1.355 CC(C)(CO)CNCC(O)c1ccccc1 2230a_100020635058_100000185958 [0,0,0,0,0,1|0,0,0]=1 743 B16R1.355 CC(C)(CO)CNC[C@@H](O)c1ccccc1 2230a_100020635058_100011933945 [0,0,0,0,0,1|0,0,0]=1 744 B16R1.355 CC(C)(CO)COC[C@@H](N)c1ccccc1 34a_100000751927_100009813988 [0,0,0,0,0,1|2,0,0]=3 745 B16R1.355 CC(C)(CO)COC[C@@H](N)c1ccncc1 34a_100138412524_100009813988 [0,0,0,0,0,1|3,0,0]=4 746 B16R1.355 CC(C)(CO)CSCC(=O)c1ccccc1 62a_100000211460_100009813988 [0,0,0,0,0,1|1,0,2]=4 747 B16R1.355 CC(C)(CO)CSCC(=O)c1ccccc1 62a_100009813988_100000211460 [0,0,0,0,0,1|1,0,2]=4 748 B16R1.355 CC(C)(CO)CSCC(O)c1ccccc1 62a_100000185958_100009813988 [0,0,0,0,0,1|1,0,0]=2 749 B16R1.355 CC(C)(CO)CSCC(O)c1ccccc1 62a_100009813988_100000185958 [0,0,0,0,0,1|1,0,0]=2 750 B16R1.355 CC(C)(CO)CSCS(=O)c1ccccc1 62a_100009813988_100000031784 [0,0,0,0,0,1|2,0,1]=4 751 B16R1.355 CC(C)(CO)CSC[C@@H](O)c1ccccc1 62a_100009813988_100011933945 [0,0,0,0,0,1|1,0,0]=2 752 B16R1.355 CC(C)(CO)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009813988 [0,0,0,0,0,1|1,0,0]=2 753 B16R1.355 CC(C)(CO)NCCC(=O)c1ccccc1 2230a_100000210608_100000750707 [0,0,0,0,0,1|0,0,2]=3 754 B16R1.355 CC(C)(CO)NCCS(=O)c1ccccc1 2230a_100000210608_100000740319 [0,0,0,0,0,1|1,0,1]=3 755 B16R1.355 CC(C)(CO)NCC[C@@H](O)c1ccccc1 2230a_100000210608_100000729684 [0,0,0,0,0,1|0,0,0]=1 756 B16R1.355 CC(CCNC(C)(C)CO)c1ccccc1 270004a_100000210608_100000189432 [0,0,0,0,0,1|1,0,0]=2 757 B16R1.355 CC(CNCC(C)(C)CO)c1ccccc1 2230a_100020635058_100000756946 [0,0,0,0,0,1|1,0,0]=2 758 B16R1.355 CC(CNCC(C)(C)CO)c1ccccc1 270004a_100020635058_100000212034 [0,0,0,0,0,1|1,0,0]=2 759 B16R1.355 CC(CNCC(C)(C)CO)c1ccccc1 34a_100000701038_100009813988 [0,0,0,0,0,1|1,0,0]=2 760 B16R1.355 CC(COCC(C)(C)CCl)c1ccccc1 7a_100011217199_100000756946 [0,0,0,0,0,1|3,0,0]=4 761 B16R1.355 CC(COCC(C)(C)CO)c1ccccc1 34a_100011215166_100009813988 [0,0,0,0,0,1|2,0,0]=3 762 B16R1.355 CC(COCC(C)(C)CO)c1ccccc1 7a_100011215166_100009813988 [0,0,0,0,0,1|2,0,0]=3 763 B16R1.355 CC(CSCC(C)(C)CO)c1ccccc1 62a_100000756946_100009813988 [0,0,0,0,0,1|2,0,0]=3 764 B16R1.355 CC(CSCC(C)(C)CO)c1ccccc1 62a_100009813988_100000756946 [0,0,0,0,0,1|2,0,0]=3 765 B16R1.355 CCC(C)(C)COCC(C)c1ccccc1 7a_100000765029_100000756946 [0,0,0,0,0,1|3,0,0]=4 766 B16R1.355 CCC(C)(C)COCC(O)c1ccccc1 7a_100000765029_100000185958 [0,0,0,0,0,1|2,0,0]=3 767 B16R1.355 CCC(C)(C)COC[C@@H](O)c1ccccc1 7a_100000765029_100011933945 [0,0,0,0,0,1|2,0,0]=3 768 B16R1.355 CCC(C)(C)NCCC(=O)c1ccccc1 2230a_100000211385_100000750707 [0,0,0,0,0,1|1,0,2]=4 769 B16R1.355 CCC(C)(C)NCCC(C)c1ccccc1 270004a_100000211385_100000189432 [0,0,0,0,0,1|2,0,0]=3 770 B16R1.355 CCC(C)(C)NCCS(=O)c1ccccc1 2230a_100000211385_100000740319 [0,0,0,0,0,1|2,0,1]=4 771 B16R1.355 CCC(C)(C)NCC[C@@H](O)c1ccccc1 2230a_100000211385_100000729684 [0,0,0,0,0,1|1,0,0]=2 772 B16R1.355 CCC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100000210230_100000729684 [0,0,0,0,0,1|2,0,0]=3 773 B16R1.355 CCC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000032637_100000729684 [0,0,0,0,0,1|2,0,0]=3 774 B16R1.355 CCC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000032637 [0,0,0,0,0,1|2,0,0]=3 775 B16R1.355 COC(C)(C)CNCC(C)c1ccccc1 2230a_100000763424_100000756946 [0,0,0,0,0,1|3,0,0]=4 776 B16R1.355 COC(C)(C)CNCC(C)c1ccccc1 270004a_100000763424_100000212034 [0,0,0,0,0,1|3,0,0]=4 777 B16R1.355 COC(C)(C)CNCC(C)c1ccccc1 34a_100000701038_100000701081 [0,0,0,0,0,1|3,0,0]=4 778 B16R1.355 COC(C)(C)CNCC(O)c1ccccc1 2230a_100000763424_100000185958 [0,0,0,0,0,1|2,0,0]=3 779 B16R1.355 COC(C)(C)CNC[C@@H](O)c1ccccc1 2230a_100000763424_100011933945 [0,0,0,0,0,1|2,0,0]=3 780 B16R1.355 COC(C)(C)CSCC(O)c1ccccc1 62a_100000185958_100000701081 [0,0,0,0,0,1|3,0,0]=4 781 B16R1.355 COC(C)(C)CSCC(O)c1ccccc1 62a_100000701081_100000185958 [0,0,0,0,0,1|3,0,0]=4 782 B16R1.355 COC(C)(C)CSC[C@@H](O)c1ccccc1 62a_100000701081_100011933945 [0,0,0,0,0,1|3,0,0]=4 783 B16R1.355 COC(C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000701081 [0,0,0,0,0,1|3,0,0]=4 784 B16R1.355 CSC(C)(C)CNCC(C)c1ccccc1 270004a_100000701038_100009845794 [0,0,0,0,0,1|3,0,0]=4 785 B16R1.355 CSC(C)(C)CNCC(O)c1ccccc1 270004a_100000210709_100009845794 [0,0,0,0,0,1|2,0,0]=3 786 B16R1.355 CSC(C)(C)CNCC(O)c1ccccn1 270004a_100000691469_100009845794 [0,0,0,0,0,1|3,0,0]=4 787 B16R1.355 CSC(C)(C)CNCC(O)c1cccnc1 270004a_100020605170_100009845794 [0,0,0,0,0,1|3,0,0]=4 788 B16R1.355 OCC(F)(F)SCC[C@@H](O)c1ccccc1 62a_100000729684_100011217949 [0,0,0,0,0,1|3,0,0]=4 789 B16R1.355 OCC(F)(F)SCC[C@@H](O)c1ccccc1 62a_100011217949_100000729684 [0,0,0,0,0,1|3,0,0]=4 790 B16R1.360 C#CC(C)(C)NCC(C)Oc1ccccc1 34a_100000755676_100000038118 [0,0,0,0,0,1|2,0,1]=4 791 B16R1.360 C#CC(C)(C)NC[C@@H](O)Cc1ccccc1 34a_100000054563_100000729385 [0,0,0,0,0,1|1,0,1]=3 792 B16R1.360 C#CC(C)(C)OC[C@@H](O)Cc1ccccc1 34a_100000189450_100000729385 [0,0,0,0,0,1|2,0,1]=4 793 B16R1.360 C#CC(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100000189450_100000729385 [0,0,0,0,0,1|2,0,1]=4 794 B16R1.360 C#CC(C)(C)SC[C@@H](O)Cc1ccccc1 62a_100000038118_100000729385 [0,0,0,0,0,1|2,0,1]=4 795 B16R1.360 C#CC(C)(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000038118 [0,0,0,0,0,1|2,0,1]=4 796 B16R1.360 C=CC(C)(C)OC[C@@H](O)Cc1ccccc1 34a_100011215311_100000729385 [0,0,0,0,0,1|2,0,1]=4 797 B16R1.360 C=CC(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100011215311_100000729385 [0,0,0,0,0,1|2,0,1]=4 798 B16R1.360 CC(C)(C#N)OC[C@@H](O)Cc1ccccc1 34a_200015195151_100000729385 [0,0,0,0,0,1|2,0,1]=4 799 B16R1.360 CC(C)(C#N)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100011162410 [0,0,0,0,0,1|2,0,1]=4 800 B16R1.360 CC(C)(C#N)SC[C@@H](O)Cc1ccccc1 62a_100011162410_100000729385 [0,0,0,0,0,1|2,0,1]=4 801 B16R1.360 CC(C)(CCl)OC[C@@H](O)Cc1ccccc1 7a_100000764493_100000729385 [0,0,0,0,0,1|2,0,0]=3 802 B16R1.360 CC(C)(CO)NCC(=O)Cc1ccccc1 2230a_100000210608_100000233483 [0,0,0,0,0,1|0,0,2]=3 803 B16R1.360 CC(C)(CO)NCC(=O)Nc1ccccc1 2230a_100000210608_100000182850 [0,0,0,0,0,1|0,0,2]=3 804 B16R1.360 CC(C)(CO)NCC(=O)Nc1ccccn1 2230a_100000210608_100020662008 [0,0,0,0,0,1|1,0,2]=4 805 B16R1.360 CC(C)(CO)NCC(=O)Nc1ccncc1 2230a_100000210608_100000754145 [0,0,0,0,0,1|1,0,2]=4 806 B16R1.360 CC(C)(CO)NCC(=O)Oc1ccccc1 2230a_100000210608_100009813826 [0,0,0,0,0,1|0,0,2]=3 807 B16R1.360 CC(C)(CO)NC[C@@H](O)Cc1ccccc1 2230a_100000210608_100000729385 [0,0,0,0,0,1|0,0,0]=1 808 B16R1.360 CC(CNC(C)(C)C#N)Oc1ccccc1 34a_100000755676_100011162410 [0,0,0,0,0,1|2,0,1]=4 809 B16R1.360 CC(Cc1ccccc1)OCC(C)(C)CO 34a_100000748627_100009813988 [0,0,0,0,0,1|3,0,0]=4 810 B16R1.360 CC(Cc1ccccc1)OCC(C)(C)CO 7a_100000748627_100009813988 [0,0,0,0,0,1|3,0,0]=4 811 B16R1.360 CC(Cc1ccccc1)SCC(C)(C)CO 62a_100009813988_200011218536 [0,0,0,0,0,1|3,0,0]=4 812 B16R1.360 CC(Cc1ccccc1)SCC(C)(C)CO 62a_200011218536_100009813988 [0,0,0,0,0,1|3,0,0]=4 813 B16R1.360 CCC(C)(C)NCC(=O)Cc1ccccc1 2230a_100000211385_100000233483 [0,0,0,0,0,1|1,0,2]=4 814 B16R1.360 CCC(C)(C)NCC(=O)Nc1ccccc1 2230a_100000211385_100000182850 [0,0,0,0,0,1|1,0,2]=4 815 B16R1.360 CCC(C)(C)NCC(=O)Oc1ccccc1 2230a_100000211385_100009813826 [0,0,0,0,0,1|1,0,2]=4 816 B16R1.360 CCC(C)(C)NC[C@@H](O)Cc1ccccc1 2230a_100000211385_100000729385 [0,0,0,0,0,1|1,0,0]=2 817 B16R1.360 CCC(C)(C)OCC(C)Cc1ccccc1 7a_100012125295_100000210677 [0,0,0,0,0,1|3,0,0]=4 818 B16R1.360 CCC(C)(C)OCC(C)Oc1ccccc1 7a_200000036796_100000210677 [0,0,0,0,0,1|3,0,0]=4 819 B16R1.360 CCC(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100000210230_100000729385 [0,0,0,0,0,1|2,0,0]=3 820 B16R1.360 CCC(C)(C)SC[C@@H](O)Cc1ccccc1 62a_100000032637_100000729385 [0,0,0,0,0,1|2,0,0]=3 821 B16R1.360 CCC(C)(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000032637 [0,0,0,0,0,1|2,0,0]=3 822 B16R1.360 OCC(F)(F)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100011217949 [0,0,0,0,0,1|3,0,0]=4 823 B16R1.360 OCC(F)(F)SC[C@@H](O)Cc1ccccc1 62a_100011217949_100000729385 [0,0,0,0,0,1|3,0,0]=4 824 B13R1.24 C#CCNCC(O)c1ccccc1 2230a_100000210709_100000038162 [2,0,0,0,0,0|1,0,1]=4 825 B13R1.24 C#CCNCC(O)c1ccccc1 34a_100000212058_100000185958 [2,0,0,0,0,0|1,0,1]=4 826 B13R1.24 C#CCNC[C@@H](O)c1ccccc1 34a_100000212058_100011933945 [2,0,0,0,0,0|1,0,1]=4 827 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [2,0,0,0,0,0|1,0,1]=4 828 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [2,0,0,0,0,0|1,0,1]=4 829 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [2,0,0,0,0,0|1,0,1]=4 830 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [2,0,0,0,0,0|2,0,0]=4 831 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [2,0,0,0,0,0|2,0,0]=4 832 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [2,0,0,0,0,0|2,0,0]=4 833 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [2,0,0,0,0,0|1,0,0]=3 834 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [2,0,0,0,0,0|1,0,0]=3 835 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [2,0,0,0,0,0|1,0,0]=3 836 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [2,0,0,0,0,0|1,0,0]=3 837 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [2,0,0,0,0,0|1,0,0]=3 838 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [2,0,0,0,0,0|2,0,0]=4 839 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [2,0,0,0,0,0|2,0,0]=4 840 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [2,0,0,0,0,0|2,0,0]=4 841 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [2,0,0,0,0,0|2,0,0]=4 842 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [2,0,0,0,0,0|2,0,0]=4 843 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [2,0,0,0,0,0|2,0,0]=4 844 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [2,0,0,0,0,0|2,0,0]=4 845 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [2,0,0,0,0,0|1,0,0]=3 846 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [2,0,0,0,0,0|2,0,0]=4 847 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [2,0,0,0,0,0|2,0,0]=4 848 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [2,0,0,0,0,0|2,0,0]=4 849 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [2,0,0,0,0,0|2,0,0]=4 850 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [2,0,0,0,0,0|2,0,0]=4 851 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [2,0,0,0,0,0|2,0,0]=4 852 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [2,0,0,0,0,0|2,0,0]=4 853 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [2,0,0,0,0,0|2,0,0]=4 854 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [2,0,0,0,0,0|2,0,0]=4 855 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [2,0,0,0,0,0|2,0,0]=4 856 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [2,0,0,0,0,0|1,0,1]=4 857 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [2,0,0,0,0,0|2,0,0]=4 858 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [2,0,0,0,0,0|2,0,0]=4 859 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [2,0,0,0,0,0|2,0,0]=4 860 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [2,0,0,0,0,0|0,0,2]=4 861 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [2,0,0,0,0,0|1,0,0]=3 862 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [2,0,0,0,0,0|1,0,0]=3 863 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [2,0,0,0,0,0|2,0,0]=4 864 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [2,0,0,0,0,0|2,0,0]=4 865 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [2,0,0,0,0,0|2,0,0]=4 866 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [2,0,0,0,0,0|2,0,0]=4 867 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [2,0,0,0,0,0|2,0,0]=4 868 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [2,0,0,0,0,0|0,0,0]=2 869 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [2,0,0,0,0,0|0,0,0]=2 870 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [2,0,0,0,0,0|0,0,0]=2 871 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [2,0,0,0,0,0|1,0,0]=3 872 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [2,0,0,0,0,0|1,0,0]=3 873 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [2,0,0,0,0,0|0,0,0]=2 874 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [2,0,0,0,0,0|0,0,0]=2 875 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [2,0,0,0,0,0|1,0,0]=3 876 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [2,0,0,0,0,0|1,0,0]=3 877 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [2,0,0,0,0,0|1,0,0]=3 878 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [2,0,0,0,0,0|1,0,0]=3 879 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [2,0,0,0,0,0|1,0,0]=3 880 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [2,0,0,0,0,0|2,0,0]=4 881 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [2,0,0,0,0,0|2,0,0]=4 882 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [2,0,0,0,0,0|2,0,0]=4 883 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [2,0,0,0,0,0|0,0,2]=4 884 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [2,0,0,0,0,0|0,0,2]=4 885 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 886 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 887 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 888 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 889 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [2,0,0,0,0,0|0,0,0]=2 890 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 891 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 892 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [2,0,0,0,0,0|1,0,0]=3 893 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [2,0,0,0,0,0|1,0,0]=3 894 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 895 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 896 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [2,0,0,0,0,0|2,0,0]=4 897 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 898 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 899 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [2,0,0,0,0,0|1,0,0]=3 900 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [2,0,0,0,0,0|2,0,0]=4 901 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [2,0,0,0,0,0|1,0,0]=3 902 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [2,0,0,0,0,0|2,0,0]=4 903 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [2,0,0,0,0,0|2,0,0]=4 904 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [2,0,0,0,0,0|1,0,0]=3 905 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [2,0,0,0,0,0|1,0,0]=3 906 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [2,0,0,0,0,0|1,0,0]=3 907 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [2,0,0,0,0,0|1,0,0]=3 908 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 909 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 910 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 911 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 912 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 913 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 914 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [2,0,0,0,0,0|1,0,1]=4 915 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [2,0,0,0,0,0|1,0,1]=4 916 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [2,0,0,0,0,0|1,0,1]=4 917 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [2,0,0,0,0,0|1,0,1]=4 918 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [2,0,0,0,0,0|1,0,1]=4 919 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [2,0,0,0,0,0|2,0,0]=4 920 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [2,0,0,0,0,0|2,0,0]=4 921 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [2,0,0,0,0,0|2,0,0]=4 922 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [2,0,0,0,0,0|2,0,0]=4 923 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [2,0,0,0,0,0|2,0,0]=4 924 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [2,0,0,0,0,0|0,0,0]=2 925 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [2,0,0,0,0,0|0,0,0]=2 926 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [2,0,0,0,0,0|1,0,0]=3 927 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [2,0,0,0,0,0|1,0,0]=3 928 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [2,0,0,0,0,0|1,0,0]=3 929 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [2,0,0,0,0,0|2,0,0]=4 930 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [2,0,0,0,0,0|2,0,0]=4 931 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [2,0,0,0,0,0|2,0,0]=4 932 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [2,0,0,0,0,0|1,0,0]=3 933 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [2,0,0,0,0,0|2,0,0]=4 934 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [2,0,0,0,0,0|2,0,0]=4 935 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [2,0,0,0,0,0|2,0,0]=4 936 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [2,0,0,0,0,0|2,0,0]=4 937 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [2,0,0,0,0,0|1,0,0]=3 938 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [2,0,0,0,0,0|1,0,0]=3 939 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [2,0,0,0,0,0|1,0,0]=3 940 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [2,0,0,0,0,0|2,0,0]=4 941 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [2,0,0,0,0,0|2,0,0]=4 942 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [2,0,0,0,0,0|2,0,0]=4 943 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [2,0,0,0,0,0|2,0,0]=4 944 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [2,0,0,0,0,0|2,0,0]=4 945 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [2,0,0,0,0,0|2,0,0]=4 946 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [2,0,0,0,0,0|2,0,0]=4 947 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [2,0,0,0,0,0|2,0,0]=4 948 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [2,0,0,0,0,0|2,0,0]=4 949 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [2,0,0,0,0,0|2,0,0]=4 950 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [2,0,0,0,0,0|2,0,0]=4 951 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [2,0,0,0,0,0|2,0,0]=4 952 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [2,0,0,0,0,0|2,0,0]=4 953 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [2,0,0,0,0,0|2,0,0]=4 954 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [2,0,0,0,0,0|2,0,0]=4 955 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [2,0,0,0,0,0|2,0,0]=4 956 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [2,0,0,0,0,0|0,0,0]=2 957 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [2,0,0,0,0,0|1,0,0]=3 958 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [2,0,0,0,0,0|1,0,0]=3 959 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [2,0,0,0,0,0|1,0,0]=3 960 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [2,0,0,0,0,0|1,0,0]=3 961 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [2,0,0,0,0,0|1,0,0]=3 962 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [2,0,0,0,0,0|1,0,0]=3 963 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [2,0,0,0,0,0|2,0,0]=4 964 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [2,0,0,0,0,0|2,0,0]=4 965 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [2,0,0,0,0,0|2,0,0]=4 966 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [2,0,0,0,0,0|2,0,0]=4 967 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [2,0,0,0,0,0|2,0,0]=4 968 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [2,0,0,0,0,0|2,0,0]=4 969 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [2,0,0,0,0,0|2,0,0]=4 970 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [2,0,0,0,0,0|2,0,0]=4 971 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [2,0,0,0,0,0|1,0,1]=4 972 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [2,0,0,0,0,0|1,0,1]=4 973 B13R1.3523 CC(C)(C)CCNc1ccccc1 34a_100000106764_100000755188 [2,0,0,0,0,0|2,0,0]=4 974 B13R1.3523 CC(C)(C)CCOc1ccccc1 34a_100000210340_100000755188 [2,0,0,0,0,0|2,0,0]=4 975 B13R1.3523 CC(C)(C)CCOc1ccccc1 7a_100000210340_100000755188 [2,0,0,0,0,0|2,0,0]=4 976 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000719477_100000755188 [2,0,0,0,0,0|2,0,0]=4 977 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000755188_100000041952 [2,0,0,0,0,0|2,0,0]=4 978 B13R1.3523 CC(C)(C)CNCc1ccccc1 207a_100000743828_100015611070 [2,0,0,0,0,0|2,0,0]=4 979 B13R1.3523 CC(C)(C)CNCc1ccccc1 2230a_100000743828_100015291786 [2,0,0,0,0,0|2,0,0]=4 980 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100000743828_100015611070 [2,0,0,0,0,0|2,0,0]=4 981 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100015324214_100011204126 [2,0,0,0,0,0|2,0,0]=4 982 B13R1.3523 CC(C)(C)CNCc1ccccc1 34a_100015324214_100011219605 [2,0,0,0,0,0|2,0,0]=4 983 B13R1.3523 CC(C)(C)COCc1ccccc1 34a_100000210790_100011219605 [2,0,0,0,0,0|2,0,0]=4 984 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100000211182_100011219605 [2,0,0,0,0,0|2,0,0]=4 985 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100011219605_100015291786 [2,0,0,0,0,0|2,0,0]=4 986 B13R1.3523 CC(C)(C)NCCc1ccccc1 2230a_100000715429_100000765856 [2,0,0,0,0,0|0,0,0]=2 987 B13R1.3523 CC(C)(C)NCCc1ccccc1 34a_100000106460_100000210625 [2,0,0,0,0,0|0,0,0]=2 988 B13R1.3523 CC(C)(C)NCCc1ccccn1 2230a_100000715429_100015183660 [2,0,0,0,0,0|1,0,0]=3 989 B13R1.3523 CC(C)(C)NCCc1cccnc1 2230a_100000715429_200011713674 [2,0,0,0,0,0|1,0,0]=3 990 B13R1.3523 CC(C)(C)NCCc1ccncc1 2230a_100000715429_100000723409 [2,0,0,0,0,0|1,0,0]=3 991 B13R1.3523 CC(C)(C)NCSc1ccccc1 2230a_100000715429_100011218342 [2,0,0,0,0,0|1,0,0]=3 992 B13R1.3523 CC(C)(C)NN=Cc1ccccc1 4a_100000725372_100015611070 [2,0,0,0,0,0|1,0,1]=4 993 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100000210268_100000210625 [2,0,0,0,0,0|1,0,0]=3 994 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100015890283_100000765856 [2,0,0,0,0,0|1,0,0]=3 995 B13R1.3523 CC(C)(C)OCCc1ccccc1 7a_100015890283_100000765856 [2,0,0,0,0,0|1,0,0]=3 996 B13R1.3523 CC(C)(C)OCCc1ccccn1 34a_100000210271_100000210625 [2,0,0,0,0,0|2,0,0]=4 997 B13R1.3523 CC(C)(C)OCCc1ccccn1 7a_100015890283_100015183660 [2,0,0,0,0,0|2,0,0]=4 998 B13R1.3523 CC(C)(C)OCCc1cccnc1 34a_100011217484_100000210625 [2,0,0,0,0,0|2,0,0]=4 999 B13R1.3523 CC(C)(C)OCCc1cccnc1 7a_100015890283_200011713674 [2,0,0,0,0,0|2,0,0]=4 1000 B13R1.3523 CC(C)(C)OCCc1ccncc1 34a_100011216225_100000210625 [2,0,0,0,0,0|2,0,0]=4 1001 B13R1.3523 CC(C)(C)OCCc1ccncc1 7a_100015890283_100000723409 [2,0,0,0,0,0|2,0,0]=4 1002 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000211941_100011218657 [2,0,0,0,0,0|1,0,0]=3 1003 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000765856_100000211941 [2,0,0,0,0,0|1,0,0]=3 1004 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100000211941_100015183660 [2,0,0,0,0,0|2,0,0]=4 1005 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100015183660_100000211941 [2,0,0,0,0,0|2,0,0]=4 1006 B13R1.3523 CC(C)(C)SCCc1cccnc1 62a_100000211941_200011713674 [2,0,0,0,0,0|2,0,0]=4 1007 B13R1.3523 CC(C)(C)SCCc1cccnc1 62a_200011713674_100000211941 [2,0,0,0,0,0|2,0,0]=4 1008 B13R1.3523 CC(C)(C)SCCc1ccncc1 62a_100000211941_100000723409 [2,0,0,0,0,0|2,0,0]=4 1009 B13R1.3523 CC(C)(C)SCCc1ccncc1 62a_100000723409_100000211941 [2,0,0,0,0,0|2,0,0]=4 1010 B13R1.3523 CC(C)(C)SCSc1ccccc1 62a_100000211941_100011218342 [2,0,0,0,0,0|2,0,0]=4 1011 B13R1.3523 CC(C)(C)SCSc1ccccc1 62a_100011218342_100000211941 [2,0,0,0,0,0|2,0,0]=4 1012 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [2,0,0,0,0,0|2,0,0]=4 1013 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [2,0,0,0,0,0|2,0,0]=4 1014 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [2,0,0,0,0,0|2,0,0]=4 1015 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [2,0,0,0,0,0|2,0,0]=4 1016 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [2,0,0,0,0,0|2,0,0]=4 1017 B13R1.3523 CC(C)(O)CNCc1ccccc1 207a_100000751335_100015611070 [2,0,0,0,0,0|2,0,0]=4 1018 B13R1.3523 CC(C)(O)CNCc1ccccc1 2230a_100000751335_100015291786 [2,0,0,0,0,0|2,0,0]=4 1019 B13R1.3523 CC(C)(O)CNCc1ccccc1 270004a_100000751335_100015611070 [2,0,0,0,0,0|2,0,0]=4 1020 B13R1.3523 CC(C)(O)CNCc1ccccc1 34a_100015324214_100000764493 [2,0,0,0,0,0|2,0,0]=4 1021 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [2,0,0,0,0,0|2,0,0]=4 1022 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [2,0,0,0,0,0|2,0,0]=4 1023 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000211182_100000764493 [2,0,0,0,0,0|2,0,0]=4 1024 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000764493_100015291786 [2,0,0,0,0,0|2,0,0]=4 1025 B15R1.89 C#CCC(C)OCC(O)c1ccccc1 34a_100000685586_100000185958 [1,1,0,0,0,0|2,0,0]=4 1026 B15R1.89 C#CCC(C)OCC(O)c1ccccc1 7a_100000685586_100000185958 [1,1,0,0,0,0|2,0,0]=4 1027 B15R1.89 C#CCC(C)OC[C@@H](O)c1ccccc1 34a_100000685586_100011933945 [1,1,0,0,0,0|2,0,0]=4 1028 B15R1.89 C#CCC(C)OC[C@@H](O)c1ccccc1 7a_100000685586_100011933945 [1,1,0,0,0,0|2,0,0]=4 1029 B15R1.89 C=CC[C@@H](C)OCC(O)c1ccccc1 34a_100000731007_100000185958 [1,1,0,0,0,0|2,0,0]=4 1030 B15R1.89 C=CC[C@@H](C)OCC(O)c1ccccc1 7a_100000731007_100000185958 [1,1,0,0,0,0|2,0,0]=4 1031 B15R1.89 C=CC[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100000731007_100011933945 [1,1,0,0,0,0|2,0,0]=4 1032 B15R1.89 C=CC[C@@H](C)OC[C@@H](O)c1ccccc1 7a_100000731007_100011933945 [1,1,0,0,0,0|2,0,0]=4 1033 B15R1.89 CC(CC#N)NCC(C)c1ccccc1 2230a_100000701038_100009813641 [1,1,0,0,0,0|2,0,0]=4 1034 B15R1.89 CC(CC#N)NCC(O)c1ccccc1 2230a_100000210709_100009813641 [1,1,0,0,0,0|1,0,0]=3 1035 B15R1.89 CC(CC#N)NCC(O)c1ccccn1 2230a_100000691469_100009813641 [1,1,0,0,0,0|2,0,0]=4 1036 B15R1.89 CC(CC#N)NCC(O)c1cccnc1 2230a_100020605170_100009813641 [1,1,0,0,0,0|2,0,0]=4 1037 B15R1.89 CC(CC#N)SCC(O)c1ccccc1 62a_100000185958_100009813641 [1,1,0,0,0,0|2,0,0]=4 1038 B15R1.89 CC(CC#N)SCC(O)c1ccccc1 62a_100009813641_100000185958 [1,1,0,0,0,0|2,0,0]=4 1039 B15R1.89 CC(CC#N)SC[C@@H](O)c1ccccc1 62a_100009813641_100011933945 [1,1,0,0,0,0|2,0,0]=4 1040 B15R1.89 CC(CC#N)SC[C@@H](O)c1ccccc1 62a_100011933945_100009813641 [1,1,0,0,0,0|2,0,0]=4 1041 B15R1.89 CC(CCBr)OCC(O)c1ccccc1 34a_100012276601_100000185958 [1,1,0,0,0,0|2,0,0]=4 1042 B15R1.89 CC(CCBr)OC[C@@H](O)c1ccccc1 34a_100012276601_100011933945 [1,1,0,0,0,0|2,0,0]=4 1043 B15R1.89 CC(CCO)NCC(C)c1ccccc1 2230a_100000701038_100009893172 [1,1,0,0,0,0|1,0,0]=3 1044 B15R1.89 CC(CCO)NCC(C)c1ccccc1 34a_100000701038_100009893172 [1,1,0,0,0,0|1,0,0]=3 1045 B15R1.89 CC(CCO)NCC(O)c1ccccc1 2230a_100000210709_100009893172 [1,1,0,0,0,0|0,0,0]=2 1046 B15R1.89 CC(CCO)NCC(O)c1ccccn1 2230a_100000691469_100009893172 [1,1,0,0,0,0|1,0,0]=3 1047 B15R1.89 CC(CCO)NCC(O)c1cccnc1 2230a_100020605170_100009893172 [1,1,0,0,0,0|1,0,0]=3 1048 B15R1.89 CC(CCO)OCC(C)c1ccccc1 34a_100011215166_100009893172 [1,1,0,0,0,0|2,0,0]=4 1049 B15R1.89 CC(CCO)OCC(C)c1ccccc1 7a_100011215166_100009893172 [1,1,0,0,0,0|2,0,0]=4 1050 B15R1.89 CC(CCO)OC[C@@H](N)c1ccccc1 34a_100000751927_100009893172 [1,1,0,0,0,0|2,0,0]=4 1051 B15R1.89 CC(CCO)SCC(C)c1ccccc1 62a_100000756946_100009893172 [1,1,0,0,0,0|2,0,0]=4 1052 B15R1.89 CC(CCO)SCC(C)c1ccccc1 62a_100009893172_100000756946 [1,1,0,0,0,0|2,0,0]=4 1053 B15R1.89 CC(CCO)SCC(O)c1ccccc1 62a_100000185958_100009893172 [1,1,0,0,0,0|1,0,0]=3 1054 B15R1.89 CC(CCO)SCC(O)c1ccccc1 62a_100009893172_100000185958 [1,1,0,0,0,0|1,0,0]=3 1055 B15R1.89 CC(CCO)SC[C@@H](O)c1ccccc1 62a_100009893172_100011933945 [1,1,0,0,0,0|1,0,0]=3 1056 B15R1.89 CC(CCO)SC[C@@H](O)c1ccccc1 62a_100011933945_100009893172 [1,1,0,0,0,0|1,0,0]=3 1057 B15R1.89 CC(CN[C@@H](C)CC#N)c1ccccc1 2230a_100016994482_100000756946 [1,1,0,0,0,0|2,0,0]=4 1058 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000756946 [1,1,0,0,0,0|1,0,0]=3 1059 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 270004a_100000706166_100000212034 [1,1,0,0,0,0|1,0,0]=3 1060 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 34a_100000706166_100000756946 [1,1,0,0,0,0|1,0,0]=3 1061 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000766640 [1,1,0,0,0,0|2,0,0]=4 1062 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000741246_100000756946 [1,1,0,0,0,0|2,0,0]=4 1063 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000211909 [1,1,0,0,0,0|2,0,0]=4 1064 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000741246_100000212034 [1,1,0,0,0,0|2,0,0]=4 1065 B15R1.89 CCCC(C)NCC(C)c1ccccc1 34a_100000701038_100000766640 [1,1,0,0,0,0|2,0,0]=4 1066 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000766640 [1,1,0,0,0,0|1,0,0]=3 1067 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000741246_100000185958 [1,1,0,0,0,0|1,0,0]=3 1068 B15R1.89 CCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000211909 [1,1,0,0,0,0|1,0,0]=3 1069 B15R1.89 CCCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000766640 [1,1,0,0,0,0|2,0,0]=4 1070 B15R1.89 CCCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000211909 [1,1,0,0,0,0|2,0,0]=4 1071 B15R1.89 CCCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000766640 [1,1,0,0,0,0|2,0,0]=4 1072 B15R1.89 CCCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000211909 [1,1,0,0,0,0|2,0,0]=4 1073 B15R1.89 CCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000741246_100011933945 [1,1,0,0,0,0|1,0,0]=3 1074 B15R1.89 CCCC(C)OCC(O)c1ccccc1 34a_100000764384_100000185958 [1,1,0,0,0,0|2,0,0]=4 1075 B15R1.89 CCCC(C)OCC(O)c1ccccc1 7a_100000764384_100000185958 [1,1,0,0,0,0|2,0,0]=4 1076 B15R1.89 CCCC(C)OC[C@@H](O)c1ccccc1 34a_100000764384_100011933945 [1,1,0,0,0,0|2,0,0]=4 1077 B15R1.89 CCCC(C)OC[C@@H](O)c1ccccc1 7a_100000764384_100011933945 [1,1,0,0,0,0|2,0,0]=4 1078 B15R1.89 CCCC(C)SCC(O)c1ccccc1 62a_100000185958_100000766640 [1,1,0,0,0,0|2,0,0]=4 1079 B15R1.89 CCCC(C)SCC(O)c1ccccc1 62a_100000766640_100000185958 [1,1,0,0,0,0|2,0,0]=4 1080 B15R1.89 CCCC(C)SC[C@@H](O)c1ccccc1 62a_100000766640_100011933945 [1,1,0,0,0,0|2,0,0]=4 1081 B15R1.89 CCCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000766640 [1,1,0,0,0,0|2,0,0]=4 1082 B15R1.89 CN(CCO)CCC(O)c1ccccc1 2230a_100011218556_100000211926 [1,1,0,0,0,0|2,0,0]=4 1083 B15R1.89 CN(CCO)CCC(O)c1ccccc1 269982a_100011218556_100000211926 [1,1,0,0,0,0|2,0,0]=4 1084 B15R1.89 CN(CCO)CC[C@@H](O)c1ccccc1 2230a_100000210263_100000729684 [1,1,0,0,0,0|2,0,0]=4 1085 B15R1.89 CN(CCO)CC[C@@H](O)c1ccccc1 269982a_100000210263_100000729684 [1,1,0,0,0,0|2,0,0]=4 1086 B15R1.89 COCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210968 [1,1,0,0,0,0|1,0,1]=4 1087 B15R1.89 COCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210968 [1,1,0,0,0,0|1,0,1]=4 1088 B15R1.89 COCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000765312 [1,1,0,0,0,0|1,0,0]=3 1089 B15R1.89 COCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000749346 [1,1,0,0,0,0|1,0,0]=3 1090 B15R1.89 COCC(C)NCC(C)c1ccccc1 34a_100000701038_100000765312 [1,1,0,0,0,0|1,0,0]=3 1091 B15R1.89 COCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000765312 [1,1,0,0,0,0|0,0,0]=2 1092 B15R1.89 COCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000749346 [1,1,0,0,0,0|0,0,0]=2 1093 B15R1.89 COCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000765312 [1,1,0,0,0,0|1,0,0]=3 1094 B15R1.89 COCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000749346 [1,1,0,0,0,0|1,0,0]=3 1095 B15R1.89 COCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000765312 [1,1,0,0,0,0|1,0,0]=3 1096 B15R1.89 COCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000749346 [1,1,0,0,0,0|1,0,0]=3 1097 B15R1.89 COCC(C)OCC(C)c1ccccc1 34a_100011215166_100000765312 [1,1,0,0,0,0|2,0,0]=4 1098 B15R1.89 COCC(C)OCC(C)c1ccccc1 7a_100011215166_100000765312 [1,1,0,0,0,0|2,0,0]=4 1099 B15R1.89 COCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000765312 [1,1,0,0,0,0|2,0,0]=4 1100 B15R1.89 COCC(C)SCC(C)c1ccccc1 62a_100000756946_100000765312 [1,1,0,0,0,0|2,0,0]=4 1101 B15R1.89 COCC(C)SCC(C)c1ccccc1 62a_100000765312_100000756946 [1,1,0,0,0,0|2,0,0]=4 1102 B15R1.89 COCC(C)SCC(O)c1ccccc1 62a_100000185958_100000765312 [1,1,0,0,0,0|1,0,0]=3 1103 B15R1.89 COCC(C)SCC(O)c1ccccc1 62a_100000765312_100000185958 [1,1,0,0,0,0|1,0,0]=3 1104 B15R1.89 COCC(C)SC[C@@H](O)c1ccccc1 62a_100000765312_100011933945 [1,1,0,0,0,0|1,0,0]=3 1105 B15R1.89 COCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000765312 [1,1,0,0,0,0|1,0,0]=3 1106 B15R1.89 COCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000766300 [1,1,0,0,0,0|2,0,0]=4 1107 B15R1.89 COCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000766300 [1,1,0,0,0,0|2,0,0]=4 1108 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 2230a_100000764878_100000756946 [1,1,0,0,0,0|1,0,0]=3 1109 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 270004a_100000764878_100000212034 [1,1,0,0,0,0|1,0,0]=3 1110 B15R1.89 COC[C@@H](C)NCC(O)c1ccccc1 2230a_100000764878_100000185958 [1,1,0,0,0,0|0,0,0]=2 1111 B15R1.89 COC[C@@H](C)NC[C@@H](O)c1ccccc1 2230a_100000764878_100011933945 [1,1,0,0,0,0|0,0,0]=2 1112 B15R1.89 COC[C@@H](C)OCC(C)c1ccccc1 34a_100011934205_100000756946 [1,1,0,0,0,0|2,0,0]=4 1113 B15R1.89 COC[C@@H](C)OCC(O)c1ccccc1 34a_100011934205_100000185958 [1,1,0,0,0,0|1,0,0]=3 1114 B15R1.89 COC[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100011934205_100011933945 [1,1,0,0,0,0|1,0,0]=3 1115 B15R1.89 CSCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011216314 [1,1,0,0,0,0|1,1,0]=4 1116 B15R1.89 CSCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011216314 [1,1,0,0,0,0|0,1,0]=3 1117 B15R1.89 CSCC(C)NCC(O)c1ccccn1 270004a_100000691469_100011216314 [1,1,0,0,0,0|1,1,0]=4 1118 B15R1.89 CSCC(C)NCC(O)c1cccnc1 270004a_100020605170_100011216314 [1,1,0,0,0,0|1,1,0]=4 1119 B15R1.89 C[C@@H](CC#N)NCC(O)c1ccccc1 2230a_100016994482_100000185958 [1,1,0,0,0,0|1,0,0]=3 1120 B15R1.89 C[C@@H](CC#N)NC[C@@H](O)c1ccccc1 2230a_100016994482_100011933945 [1,1,0,0,0,0|1,0,0]=3 1121 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 2230a_100000706166_100000185958 [1,1,0,0,0,0|0,0,0]=2 1122 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 34a_100000706166_100000185958 [1,1,0,0,0,0|0,0,0]=2 1123 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 2230a_100000706166_100011933945 [1,1,0,0,0,0|0,0,0]=2 1124 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [1,1,0,0,0,0|0,0,0]=2 1125 B15R1.89 O=C(CCO)NCC(O)c1ccccc1 240690a_100000210709_100011216618 [1,1,0,0,0,0|1,0,1]=4 1126 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_200000035995 [1,1,0,0,0,0|1,0,1]=4 1127 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_200000035995 [1,1,0,0,0,0|1,0,1]=4 1128 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000707721_200011996143 [1,1,0,0,0,0|1,0,1]=4 1129 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000707721_200011996143 [1,1,0,0,0,0|1,0,1]=4 1130 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_200000035995 [1,1,0,0,0,0|1,0,1]=4 1131 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_200000035995 [1,1,0,0,0,0|1,0,1]=4 1132 B15R1.132 C#CC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000707721_100000720402 [1,1,0,0,0,0|1,0,1]=4 1133 B15R1.132 C#CC(C)NC[C@H](O)c1ccc(cc1)F 34a_100000707721_100000720402 [1,1,0,0,0,0|1,0,1]=4 1134 B15R1.132 CC(C#N)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000184139 [1,1,0,0,0,0|1,0,1]=4 1135 B15R1.132 CC(C#N)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000184139 [1,1,0,0,0,0|1,0,1]=4 1136 B15R1.132 CC(C#N)NCC(O)c1ccc(cc1)Cl 2230a_100000737613_200011996143 [1,1,0,0,0,0|1,0,1]=4 1137 B15R1.132 CC(C#N)NC[C@H](O)c1ccc(cc1)F 2230a_100000737613_100000720402 [1,1,0,0,0,0|1,0,1]=4 1138 B15R1.132 CC(CF)OCC(O)c1ccc(cc1)Cl 34a_100016041109_200011996143 [1,1,0,0,0,0|2,0,0]=4 1139 B15R1.132 CC(CF)OCC(O)c1ccc(cc1)Cl 7a_100016041109_200011996143 [1,1,0,0,0,0|2,0,0]=4 1140 B15R1.132 CC(CF)OC[C@H](O)c1ccc(cc1)F 34a_100016041109_100000720402 [1,1,0,0,0,0|2,0,0]=4 1141 B15R1.132 CC(CF)OC[C@H](O)c1ccc(cc1)F 7a_100016041109_100000720402 [1,1,0,0,0,0|2,0,0]=4 1142 B15R1.132 CC(CN)OCC(O)c1ccc(cc1)Cl 34a_100000210904_200011996143 [1,1,0,0,0,0|2,0,0]=4 1143 B15R1.132 CC(CN)OC[C@H](O)c1ccc(cc1)F 34a_100000210904_100000720402 [1,1,0,0,0,0|2,0,0]=4 1144 B15R1.132 CC(CO)NCC(C)c1ccc(cc1)O 34a_200015188644_100012180447 [1,1,0,0,0,0|1,0,0]=3 1145 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100012180447 [1,1,0,0,0,0|0,0,0]=2 1146 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Br 34a_100020626992_100012180447 [1,1,0,0,0,0|0,0,0]=2 1147 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100012180447 [1,1,0,0,0,0|0,0,0]=2 1148 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100012180447 [1,1,0,0,0,0|0,0,0]=2 1149 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)O 34a_100000067596_100012180447 [1,1,0,0,0,0|0,0,0]=2 1150 B15R1.132 CC(CO)OCC(N)c1ccc(cc1)Br 34a_100000734186_100012180447 [1,1,0,0,0,0|2,0,0]=4 1151 B15R1.132 CC(CO)OCC(N)c1ccc(cc1)F 34a_100000705410_100012180447 [1,1,0,0,0,0|2,0,0]=4 1152 B15R1.132 CC(CO)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100012180447 [1,1,0,0,0,0|2,0,0]=4 1153 B15R1.132 CC(CO)SCC(O)c1ccc(cc1)Cl 62a_100012180447_200011996143 [1,1,0,0,0,0|1,0,0]=3 1154 B15R1.132 CC(CO)SC[C@H](O)c1ccc(cc1)F 62a_100012180447_100000720402 [1,1,0,0,0,0|1,0,0]=3 1155 B15R1.132 CCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100011215416 [1,1,0,0,0,0|2,0,0]=4 1156 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000758301 [1,1,0,0,0,0|1,0,0]=3 1157 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100011215416 [1,1,0,0,0,0|1,0,0]=3 1158 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_100000758301 [1,1,0,0,0,0|1,0,0]=3 1159 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_100011215416 [1,1,0,0,0,0|1,0,0]=3 1160 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000209981_200011996143 [1,1,0,0,0,0|1,0,0]=3 1161 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000758301 [1,1,0,0,0,0|1,0,0]=3 1162 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215416 [1,1,0,0,0,0|1,0,0]=3 1163 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100011215416 [1,1,0,0,0,0|1,0,0]=3 1164 B15R1.132 CCC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000209981_100000720402 [1,1,0,0,0,0|1,0,0]=3 1165 B15R1.132 CCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000210228_200011996143 [1,1,0,0,0,0|2,0,0]=4 1166 B15R1.132 CCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000210228_100000720402 [1,1,0,0,0,0|2,0,0]=4 1167 B15R1.132 CCC(C)SCC(O)c1ccc(cc1)Cl 62a_100000758301_200011996143 [1,1,0,0,0,0|2,0,0]=4 1168 B15R1.132 CCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000758301 [1,1,0,0,0,0|2,0,0]=4 1169 B15R1.132 CCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000758301 [1,1,0,0,0,0|2,0,0]=4 1170 B15R1.132 CCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000758301_100000720402 [1,1,0,0,0,0|2,0,0]=4 1171 B15R1.132 C[C@H](CO)NCC(O)c1ccc(cc1)Cl 2230a_100000737577_200011996143 [1,1,0,0,0,0|0,0,0]=2 1172 B15R1.132 C[C@H](CO)NC[C@H](O)c1ccc(cc1)F 2230a_100000737577_100000720402 [1,1,0,0,0,0|0,0,0]=2 1173 B15R1.132 C[C@H](CO)SCC(O)c1ccc(cc1)Cl 62a_100016084084_200011996143 [1,1,0,0,0,0|1,0,0]=3 1174 B15R1.132 C[C@H](CO)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100016084084 [1,1,0,0,0,0|1,0,0]=3 1175 B15R1.132 C[C@H](CO)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100016084084 [1,1,0,0,0,0|1,0,0]=3 1176 B15R1.132 C[C@H](CO)SC[C@H](O)c1ccc(cc1)F 62a_100016084084_100000720402 [1,1,0,0,0,0|1,0,0]=3 1177 B15R1.132 Cc1ccc(cc1)C(=O)CN[C@H](C)CO 2230a_100000737577_100000211441 [1,1,0,0,0,0|0,0,2]=4 1178 B15R1.132 Cc1ccc(cc1)C(O)CNC(=O)CO 240690a_200020610344_100000210174 [1,1,0,0,0,0|1,0,1]=4 1179 B15R1.132 Cc1ccc(cc1)C(O)CNC(=O)CO 527a_200020610344_100000210174 [1,1,0,0,0,0|1,0,1]=4 1180 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)C#N 2230a_200020610344_100000184139 [1,1,0,0,0,0|1,0,1]=4 1181 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)CO 2230a_200020610344_100012180447 [1,1,0,0,0,0|0,0,0]=2 1182 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)CO 34a_200020610344_100012180447 [1,1,0,0,0,0|0,0,0]=2 1183 B15R1.132 Cc1ccc(cc1)[C@@H](N)COC(C)CO 34a_100009818840_100012180447 [1,1,0,0,0,0|2,0,0]=4 1184 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210174 [1,1,0,0,0,0|1,0,1]=4 1185 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210174 [1,1,0,0,0,0|1,0,1]=4 1186 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210174 [1,1,0,0,0,0|1,0,1]=4 1187 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210174 [1,1,0,0,0,0|1,0,1]=4 1188 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210174 [1,1,0,0,0,0|1,0,1]=4 1189 B15R1.133 C#CC(C)NCC(O)c1cccc(c1)O 34a_100020657549_200000035995 [1,1,0,0,0,0|1,0,1]=4 1190 B15R1.133 CC(C#N)NCC(O)c1cccc(c1)O 2230a_100020657549_100000184139 [1,1,0,0,0,0|1,0,1]=4 1191 B15R1.133 CC(CO)NCC(O)c1cccc(c1)O 2230a_100020657549_100012180447 [1,1,0,0,0,0|0,0,0]=2 1192 B15R1.133 CC(CO)NCC(O)c1cccc(c1)O 34a_100020657549_100012180447 [1,1,0,0,0,0|0,0,0]=2 1193 B15R1.133 CC(CO)OCC(N)c1cccc(c1)Br 34a_100000690078_100012180447 [1,1,0,0,0,0|2,0,0]=4 1194 B15R1.133 CC(CO)OC[C@@H](N)c1cccc(c1)F 34a_100020641251_100012180447 [1,1,0,0,0,0|2,0,0]=4 1195 B15R1.133 CC(CO)OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100012180447 [1,1,0,0,0,0|2,0,0]=4 1196 B15R1.133 CCC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_100000758301 [1,1,0,0,0,0|1,0,0]=3 1197 B15R1.133 CCC(C)NCC(O)c1cccc(c1)O 34a_100020657549_100011215416 [1,1,0,0,0,0|1,0,0]=3 1198 B15R1.133 C[C@H](CO)NCC(=O)c1cccc(c1)Br 2230a_100000737577_100000212080 [1,1,0,0,0,0|0,0,2]=4 1199 B15R1.133 C[C@H](CO)NCC(=O)c1cccc(c1)Cl 2230a_100000737577_100000211444 [1,1,0,0,0,0|0,0,2]=4 1200 B15R1.133 C[C@H](CO)NCC(=O)c1cccc(c1)F 2230a_100000737577_100000215616 [1,1,0,0,0,0|0,0,2]=4 1201 B15R1.133 Cc1cccc(c1)C(=O)CN[C@H](C)CO 2230a_100000737577_100000739480 [1,1,0,0,0,0|0,0,2]=4 1202 B15R1.133 Cc1cccc(c1)[C@H](N)COC(C)CO 34a_100009818812_100012180447 [1,1,0,0,0,0|2,0,0]=4 1203 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210174 [1,1,0,0,0,0|1,0,1]=4 1204 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 527a_100020657549_100000210174 [1,1,0,0,0,0|1,0,1]=4 1205 B15R1.500 C=C(C)C(C)NCC(O)c1ccccc1 269862a_100000210709_100011216138 [1,1,0,0,0,0|1,0,1]=4 1206 B15R1.500 CC(=O)C(C)NCC(O)c1ccccc1 2230a_100000210709_100009814033 [1,1,0,0,0,0|0,0,2]=4 1207 B15R1.500 CC(C)C(C)NCC(O)c1ccccc1 2230a_100000211541_100000185958 [1,1,0,0,0,0|1,0,0]=3 1208 B15R1.500 CC(C)C(C)NC[C@@H](O)c1ccccc1 2230a_100000211541_100011933945 [1,1,0,0,0,0|1,0,0]=3 1209 B15R1.500 CC(C)C(C)OCC(O)c1ccccc1 7a_100000748068_100000185958 [1,1,0,0,0,0|2,0,0]=4 1210 B15R1.500 CC(C)C(C)OC[C@@H](O)c1ccccc1 7a_100000748068_100011933945 [1,1,0,0,0,0|2,0,0]=4 1211 B15R1.500 CC(CNC(C)C(C)C)c1ccccc1 2230a_100000211541_100000756946 [1,1,0,0,0,0|2,0,0]=4 1212 B15R1.500 CC(CNC(C)C(C)C)c1ccccc1 270004a_100000211541_100000212034 [1,1,0,0,0,0|2,0,0]=4 1213 B15R1.500 CC(CN[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000756946 [1,1,0,0,0,0|1,0,1]=4 1214 B15R1.500 CC(NCC(O)c1ccccc1)C(=O)N 2230a_100000210709_100000702099 [1,1,0,0,0,0|0,0,2]=4 1215 B15R1.500 C[C@@H](NCC(O)c1ccccc1)C(=O)N 2230a_100000119354_100000185958 [1,1,0,0,0,0|0,0,2]=4 1216 B15R1.500 C[C@@H](NCC(O)c1ccccc1)C(=O)N 34a_100000119354_100000185958 [1,1,0,0,0,0|0,0,2]=4 1217 B15R1.500 C[C@@H](NC[C@@H](O)c1ccccc1)C(=O)N 2230a_100000119354_100011933945 [1,1,0,0,0,0|0,0,2]=4 1218 B15R1.500 C[C@@H](NC[C@@H](O)c1ccccc1)C(=O)N 34a_100000119354_100011933945 [1,1,0,0,0,0|0,0,2]=4 1219 B15R1.500 C[C@@H](O)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000717761 [1,1,0,0,0,0|1,0,1]=4 1220 B15R1.500 C[C@H](NCC(O)c1ccccc1)C(=O)O 269956a_100000743915_100000185958 [1,1,0,0,0,0|0,0,1]=3 1221 B15R1.500 C[C@H](NC[C@@H](O)c1ccccc1)C(=O)O 269956a_100000743915_100011933945 [1,1,0,0,0,0|0,0,1]=3 1222 B15R1.500 C[C@H](O)C(=O)NCC(O)c1ccccc1 240690a_100000210709_217856618621 [1,1,0,0,0,0|1,0,1]=4 1223 B15R1.500 O=C(NCC(O)c1ccccc1)C(O)O 240690a_100000210709_100000233687 [1,1,0,0,0,0|1,0,1]=4 1224 B15R1.652 C=C[C@@H](CO)NCC(C)c1ccccc1 2230a_100016989147_100000756946 [1,1,0,0,0,0|1,0,1]=4 1225 B15R1.652 C=C[C@@H](CO)NCC(C)c1ccccc1 270004a_100016989147_100000212034 [1,1,0,0,0,0|1,0,1]=4 1226 B15R1.652 C=C[C@@H](CO)NCC(C)c1ccccc1 34a_100016989147_100000756946 [1,1,0,0,0,0|1,0,1]=4 1227 B15R1.652 C=C[C@@H](CO)NCC(O)c1ccccc1 2230a_100016989147_100000185958 [1,1,0,0,0,0|0,0,1]=3 1228 B15R1.652 C=C[C@@H](CO)NCC(O)c1ccccc1 34a_100016989147_100000185958 [1,1,0,0,0,0|0,0,1]=3 1229 B15R1.652 C=C[C@@H](CO)NC[C@@H](O)c1ccccc1 2230a_100016989147_100011933945 [1,1,0,0,0,0|0,0,1]=3 1230 B15R1.652 C=C[C@@H](CO)NC[C@@H](O)c1ccccc1 34a_100016989147_100011933945 [1,1,0,0,0,0|0,0,1]=3 1231 B15R1.652 CC(CNC(CO)CO)c1ccccc1 2230a_100000759517_100000756946 [1,1,0,0,0,0|1,0,0]=3 1232 B15R1.652 CCC(CC)NCC(C)c1ccccc1 2230a_100000199018_100000756946 [1,1,0,0,0,0|2,0,0]=4 1233 B15R1.652 CCC(CC)NCC(C)c1ccccc1 270004a_100000199018_100000212034 [1,1,0,0,0,0|2,0,0]=4 1234 B15R1.652 CCC(CC)NCC(C)c1ccccc1 270004a_100000701038_100000210860 [1,1,0,0,0,0|2,0,0]=4 1235 B15R1.652 CCC(CC)NCC(O)c1ccccc1 2230a_100000199018_100000185958 [1,1,0,0,0,0|1,0,0]=3 1236 B15R1.652 CCC(CC)NCC(O)c1ccccc1 270004a_100000210709_100000210860 [1,1,0,0,0,0|1,0,0]=3 1237 B15R1.652 CCC(CC)NCC(O)c1ccccn1 270004a_100000691469_100000210860 [1,1,0,0,0,0|2,0,0]=4 1238 B15R1.652 CCC(CC)NCC(O)c1cccnc1 270004a_100020605170_100000210860 [1,1,0,0,0,0|2,0,0]=4 1239 B15R1.652 CCC(CC)NC[C@@H](O)c1ccccc1 2230a_100000199018_100011933945 [1,1,0,0,0,0|1,0,0]=3 1240 B15R1.652 CCC(CC)OCC(O)c1ccccc1 7a_100000688536_100000185958 [1,1,0,0,0,0|2,0,0]=4 1241 B15R1.652 CCC(CC)OC[C@@H](O)c1ccccc1 7a_100000688536_100011933945 [1,1,0,0,0,0|2,0,0]=4 1242 B15R1.652 CCC(CC)SCC(O)c1ccccc1 62a_100000185958_100000210505 [1,1,0,0,0,0|2,0,0]=4 1243 B15R1.652 CCC(CC)SCC(O)c1ccccc1 62a_100000210505_100000185958 [1,1,0,0,0,0|2,0,0]=4 1244 B15R1.652 CCC(CC)SC[C@@H](O)c1ccccc1 62a_100000210505_100011933945 [1,1,0,0,0,0|2,0,0]=4 1245 B15R1.652 CCC(CC)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210505 [1,1,0,0,0,0|2,0,0]=4 1246 B15R1.652 CC[C@@H](CO)NCC(C)c1ccccc1 2230a_100000709445_100000756946 [1,1,0,0,0,0|1,0,0]=3 1247 B15R1.652 CC[C@@H](CO)NCC(C)c1ccccc1 270004a_100000709445_100000212034 [1,1,0,0,0,0|1,0,0]=3 1248 B15R1.652 CC[C@@H](CO)NCC(O)c1ccccc1 2230a_100000709445_100000185958 [1,1,0,0,0,0|0,0,0]=2 1249 B15R1.652 CC[C@@H](CO)NC[C@@H](O)c1ccccc1 2230a_100000709445_100011933945 [1,1,0,0,0,0|0,0,0]=2 1250 B15R1.652 NCC(CN)OCC(O)c1ccccc1 34a_100000031598_100000185958 [1,1,0,0,0,0|2,0,0]=4 1251 B15R1.652 NCC(CN)OC[C@@H](O)c1ccccc1 34a_100000031598_100011933945 [1,1,0,0,0,0|2,0,0]=4 1252 B15R1.652 OC(COC(CCl)CCl)c1ccccc1 7a_100000737055_100000185958 [1,1,0,0,0,0|2,0,0]=4 1253 B15R1.652 OC(COC(CF)CF)c1ccccc1 34a_100000032261_100000185958 [1,1,0,0,0,0|2,0,0]=4 1254 B15R1.652 OC(COC(CF)CF)c1ccccc1 7a_100000032261_100000185958 [1,1,0,0,0,0|2,0,0]=4 1255 B15R1.652 OC(CO[C@@H](CF)CCl)c1ccccc1 34a_100015614560_100000185958 [1,1,0,0,0,0|2,0,0]=4 1256 B15R1.652 OC(CO[C@@H](CF)CCl)c1ccccc1 7a_100015614560_100000185958 [1,1,0,0,0,0|2,0,0]=4 1257 B15R1.652 OCC(CO)NCC(O)c1ccccc1 2230a_100000759517_100000185958 [1,1,0,0,0,0|0,0,0]=2 1258 B15R1.652 OCC(CO)NC[C@@H](O)c1ccccc1 2230a_100000759517_100011933945 [1,1,0,0,0,0|0,0,0]=2 1259 B15R1.652 O[C@H](COC(CCl)CCl)c1ccccc1 7a_100000737055_100011933945 [1,1,0,0,0,0|2,0,0]=4 1260 B15R1.652 O[C@H](COC(CF)CF)c1ccccc1 34a_100000032261_100011933945 [1,1,0,0,0,0|2,0,0]=4 1261 B15R1.652 O[C@H](COC(CF)CF)c1ccccc1 7a_100000032261_100011933945 [1,1,0,0,0,0|2,0,0]=4 1262 B15R1.652 O[C@H](CO[C@@H](CF)CCl)c1ccccc1 34a_100015614560_100011933945 [1,1,0,0,0,0|2,0,0]=4 1263 B15R1.652 O[C@H](CO[C@@H](CF)CCl)c1ccccc1 7a_100015614560_100011933945 [1,1,0,0,0,0|2,0,0]=4 1264 B15R1.947 C=CC(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100011215867 [1,1,0,0,0,0|1,0,1]=4 1265 B15R1.947 CC(C#N)N(C)CC(O)c1ccccc1 2230a_100000227976_100000184139 [1,1,0,0,0,0|1,0,1]=4 1266 B15R1.947 CC(C#N)N(C)CC(O)c1ccccc1 269982a_100000227976_100000703298 [1,1,0,0,0,0|1,0,1]=4 1267 B15R1.947 CC(CN(C)C(C)CO)c1ccccc1 2230a_100000693034_100000756946 [1,1,0,0,0,0|1,0,0]=3 1268 B15R1.947 CC(CN(C)C(C)CO)c1ccccc1 269982a_100000693034_100000756946 [1,1,0,0,0,0|1,0,0]=3 1269 B15R1.947 CC(CN(C)C(C)CO)c1ccccc1 270004a_100000693034_100000212034 [1,1,0,0,0,0|1,0,0]=3 1270 B15R1.947 CC(CO)N(C)CC(=O)c1ccccc1 269982a_100000693034_100000211460 [1,1,0,0,0,0|0,0,2]=4 1271 B15R1.947 CC(CO)N(C)CC(O)c1ccccc1 2230a_100000227976_100012180447 [1,1,0,0,0,0|0,0,0]=2 1272 B15R1.947 CC(CO)N(C)CC(O)c1ccccc1 2230a_100000693034_100000185958 [1,1,0,0,0,0|0,0,0]=2 1273 B15R1.947 CC(CO)N(C)CS(=O)c1ccccc1 269982a_100000693034_100000031784 [1,1,0,0,0,0|1,0,1]=4 1274 B15R1.947 CC(CO)N(C)C[C@@H](O)c1ccccc1 2230a_100000693034_100011933945 [1,1,0,0,0,0|0,0,0]=2 1275 B15R1.947 CCC(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_100000758301 [1,1,0,0,0,0|2,0,0]=4 1276 B15R1.947 CCC(C)C(=O)CC(O)c1ccccc1 1458a_100011192722_100000185958 [1,1,0,0,0,0|2,0,0]=4 1277 B15R1.947 CCC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100011192722_100011933945 [1,1,0,0,0,0|2,0,0]=4 1278 B15R1.947 CCC(C)N(C)CC(C)c1ccccc1 2230a_100000741768_100000756946 [1,1,0,0,0,0|2,0,0]=4 1279 B15R1.947 CCC(C)N(C)CC(C)c1ccccc1 269982a_100000741768_100000756946 [1,1,0,0,0,0|2,0,0]=4 1280 B15R1.947 CCC(C)N(C)CC(C)c1ccccc1 270004a_100000741768_100000212034 [1,1,0,0,0,0|2,0,0]=4 1281 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 2230a_100000227976_100000758301 [1,1,0,0,0,0|1,0,0]=3 1282 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 2230a_100000741768_100000185958 [1,1,0,0,0,0|1,0,0]=3 1283 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100000758301 [1,1,0,0,0,0|1,0,0]=3 1284 B15R1.947 CCC(C)N(C)C[C@@H](O)c1ccccc1 2230a_100000741768_100011933945 [1,1,0,0,0,0|1,0,0]=3 1285 B15R1.947 CN(CC(O)c1ccccc1)C(=O)CO 240690a_100000227976_100000210174 [1,1,0,0,0,0|1,0,1]=4 1286 B15R1.947 CN(CC(O)c1ccccc1)C(=O)CO 527a_100000227976_100000210174 [1,1,0,0,0,0|1,0,1]=4 1287 B15R1.947 COC(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100009879195 [1,1,0,0,0,0|2,0,0]=4 1288 B15R1.947 C[C@H](CO)N(C)CC(O)c1ccccc1 269982a_100000227976_100016084084 [1,1,0,0,0,0|0,0,0]=2 1289 B15R1.947 O=C(CC(O)c1ccccc1)C(O)CO 1458a_100011215603_100000185958 [1,1,0,0,0,0|2,0,0]=4 1290 B15R1.947 O=C(C[C@@H](O)c1ccccc1)C(O)CO 1458a_100011215603_100011933945 [1,1,0,0,0,0|2,0,0]=4 1291 B15R1.950 CC(CO)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100012180447 [1,1,0,0,0,0|2,0,0]=4 1292 B15R1.950 CC(N[C@H](C)CO)C(=O)c1ccccc1 2230a_100000737577_100000239700 [1,1,0,0,0,0|0,0,2]=4 1293 B15R1.950 CCC(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000209981_100000684486 [1,1,0,0,0,0|1,0,1]=4 1294 B15R1.950 C[C@@H](CO)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000059175 [1,1,0,0,0,0|1,0,1]=4 1295 B15R1.950 C[C@H](CF)NC(=O)[C@H](O)c1ccccc1 240690a_100102880703_100000684486 [1,1,0,0,0,0|1,0,1]=4 1296 B15R1.950 C[C@H](CO)NC(=O)C(F)c1ccccc1 240690a_100000737577_100000698975 [1,1,0,0,0,0|1,0,1]=4 1297 B15R1.950 C[C@H](CO)NC(=O)C(F)c1ccccc1 527a_100000737577_100000698975 [1,1,0,0,0,0|1,0,1]=4 1298 B15R1.950 C[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 240690a_100000737577_100000751047 [1,1,0,0,0,0|1,0,1]=4 1299 B15R1.950 C[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 527a_100000737577_100000751047 [1,1,0,0,0,0|1,0,1]=4 1300 B15R1.950 C[C@H](CO)NC(=O)[C@H](O)c1ccccc1 240690a_100000737577_100000684486 [1,1,0,0,0,0|0,0,1]=3 1301 B15R1.1094 CC(C#N)NCC(C)(O)c1ccccc1 2230a_100011660926_100000184139 [1,1,0,0,0,0|1,0,1]=4 1302 B15R1.1094 CC(CO)NCC(C)(C)c1ccccc1 2230a_100011211644_100012180447 [1,1,0,0,0,0|1,0,0]=3 1303 B15R1.1094 CC(CO)NCC(C)(O)c1ccccc1 2230a_100011660926_100012180447 [1,1,0,0,0,0|0,0,0]=2 1304 B15R1.1094 CC(CO)NCC(F)(F)c1ccccc1 34a_100000717977_100012180447 [1,1,0,0,0,0|1,0,0]=3 1305 B15R1.1094 CC(CO)OCC(C)(C)c1ccccc1 7a_100000747608_100012180447 [1,1,0,0,0,0|2,0,0]=4 1306 B15R1.1094 CC(CO)SCC(C)(C)c1ccccc1 62a_100012180447_100000703224 [1,1,0,0,0,0|2,0,0]=4 1307 B15R1.1094 CC(CO)SCC(F)(F)c1ccccc1 62a_100012180447_100009875531 [1,1,0,0,0,0|2,0,0]=4 1308 B15R1.1094 CC(O)(CNC(=O)CO)c1ccccc1 527a_100011660926_100000210174 [1,1,0,0,0,0|1,0,1]=4 1309 B15R1.1094 CCC(C)NCC(C)(C)c1ccccc1 2230a_100011211644_100000758301 [1,1,0,0,0,0|2,0,0]=4 1310 B15R1.1094 CCC(C)NCC(C)(O)c1ccccc1 2230a_100011660926_100000758301 [1,1,0,0,0,0|1,0,0]=3 1311 B15R1.1094 CCC(C)NCC(F)(F)c1ccccc1 34a_100000717977_100011215416 [1,1,0,0,0,0|2,0,0]=4 1312 B15R1.1094 C[C@H](CO)NC[Si](C)(C)c1ccccc1 2230a_100000737577_100000038972 [1,1,0,0,0,0|1,1,0]=4 1313 B15R1.1094 C[C@H](CO)SCC(C)(C)c1ccccc1 62a_100000703224_100016084084 [1,1,0,0,0,0|2,0,0]=4 1314 B15R1.1094 C[C@H](CO)SCC(C)(C)c1ccccc1 62a_100016084084_100000703224 [1,1,0,0,0,0|2,0,0]=4 1315 B15R1.1094 C[C@H](CO)SCC(F)(F)c1ccccc1 62a_100009875531_100016084084 [1,1,0,0,0,0|2,0,0]=4 1316 B15R1.1094 C[C@H](CO)SCC(F)(F)c1ccccc1 62a_100016084084_100009875531 [1,1,0,0,0,0|2,0,0]=4 1317 B15R1.1097 CCC(C)NCC(CC)c1ccccc1 270004a_100000209981_100000753018 [1,1,0,0,0,0|2,0,0]=4 1318 B15R1.1097 CCC(C)OCC(OC)c1ccccc1 34a_100011215540_100011215416 [1,1,0,0,0,0|2,0,0]=4 1319 B15R1.1097 CCC(C)OCC(OC)c1ccccc1 7a_100011215540_100000758301 [1,1,0,0,0,0|2,0,0]=4 1320 B15R1.1097 CCC(CN[C@H](C)CF)c1ccccc1 270004a_100102880703_100000753018 [1,1,0,0,0,0|2,0,0]=4 1321 B15R1.1097 CCC(CN[C@H](C)CO)c1ccccc1 270004a_100000737577_100000753018 [1,1,0,0,0,0|1,0,0]=3 1322 B15R1.1097 CCC(COC(C)CO)c1ccccc1 34a_100000752371_100012180447 [1,1,0,0,0,0|2,0,0]=4 1323 B15R1.1097 CCC(COC(C)CO)c1ccccc1 7a_100000752371_100012180447 [1,1,0,0,0,0|2,0,0]=4 1324 B15R1.1097 COC(COC(C)CO)c1ccccc1 34a_100011215540_100012180447 [1,1,0,0,0,0|1,0,0]=3 1325 B15R1.1097 COC(COC(C)CO)c1ccccc1 7a_100011215540_100012180447 [1,1,0,0,0,0|1,0,0]=3 1326 B15R1.1097 C[C@@H](CO)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000059175 [1,1,0,0,0,0|2,0,0]=4 1327 B15R1.1097 C[C@@H](CO)CN[C@H](CO)c1ccccc1 34a_100000751927_100000059175 [1,1,0,0,0,0|2,0,0]=4 1328 B15R1.5815 C#CC(C)NCC(O)c1ccccc1Cl 34a_200000759403_200000035995 [1,1,0,0,0,0|1,0,1]=4 1329 B15R1.5815 CC(C#N)NCC(O)c1ccccc1Br 2230a_100011236429_100000184139 [1,1,0,0,0,0|1,0,1]=4 1330 B15R1.5815 CC(C#N)NCC(O)c1ccccc1Cl 2230a_200000759403_100000184139 [1,1,0,0,0,0|1,0,1]=4 1331 B15R1.5815 CC(CO)NCC(O)c1ccccc1Br 2230a_100011236429_100012180447 [1,1,0,0,0,0|0,0,0]=2 1332 B15R1.5815 CC(CO)NCC(O)c1ccccc1Cl 2230a_200000759403_100012180447 [1,1,0,0,0,0|0,0,0]=2 1333 B15R1.5815 CC(CO)NCC(O)c1ccccc1Cl 34a_200000759403_100012180447 [1,1,0,0,0,0|0,0,0]=2 1334 B15R1.5815 CC(CO)OCC(N)c1ccccc1Cl 34a_100138412506_100012180447 [1,1,0,0,0,0|2,0,0]=4 1335 B15R1.5815 CC(CO)OC[C@@H](N)c1ccccc1Br 34a_100161155918_100012180447 [1,1,0,0,0,0|2,0,0]=4 1336 B15R1.5815 CC(CO)OC[C@H](N)c1ccccc1F 34a_100009818778_100012180447 [1,1,0,0,0,0|2,0,0]=4 1337 B15R1.5815 CCC(C)NCC(O)c1ccccc1Br 2230a_100011236429_100000758301 [1,1,0,0,0,0|1,0,0]=3 1338 B15R1.5815 CCC(C)NCC(O)c1ccccc1Cl 2230a_200000759403_100000758301 [1,1,0,0,0,0|1,0,0]=3 1339 B15R1.5815 CCC(C)NCC(O)c1ccccc1Cl 34a_200000759403_100011215416 [1,1,0,0,0,0|1,0,0]=3 1340 B15R1.5815 Cc1ccccc1C(=O)CN[C@H](C)CO 2230a_100000737577_100000741374 [1,1,0,0,0,0|0,0,2]=4 1341 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Br 240690a_100011236429_100000210174 [1,1,0,0,0,0|1,0,1]=4 1342 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Br 527a_100011236429_100000210174 [1,1,0,0,0,0|1,0,1]=4 1343 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Cl 240690a_200000759403_100000210174 [1,1,0,0,0,0|1,0,1]=4 1344 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Cl 527a_200000759403_100000210174 [1,1,0,0,0,0|1,0,1]=4 1345 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)Br 34a_100000054563_100011740612 [1,1,0,0,0,0|1,0,1]=4 1346 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)Br 34a_100000755846_100000038118 [1,1,0,0,0,0|1,0,1]=4 1347 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)C 34a_100000054563_100011713686 [1,1,0,0,0,0|1,0,1]=4 1348 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)C 34a_100000705350_100000038118 [1,1,0,0,0,0|1,0,1]=4 1349 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)Cl 34a_100000054563_100011713675 [1,1,0,0,0,0|1,0,1]=4 1350 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000038118 [1,1,0,0,0,0|1,0,1]=4 1351 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)F 34a_100000054563_100011217392 [1,1,0,0,0,0|1,0,1]=4 1352 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)F 34a_100000199005_100000038118 [1,1,0,0,0,0|1,0,1]=4 1353 B15R1.8 C#CC(C)(C)NCCc1ccc(cc1)O 34a_100000743037_100000038118 [1,1,0,0,0,0|1,0,1]=4 1354 B15R1.8 CC(C)(C#N)NCCc1ccc(cc1)Br 34a_100000755846_100011162410 [1,1,0,0,0,0|1,0,1]=4 1355 B15R1.8 CC(C)(C#N)NCCc1ccc(cc1)Cl 34a_100000185265_100011162410 [1,1,0,0,0,0|1,0,1]=4 1356 B15R1.8 CC(C)(C#N)NCCc1ccc(cc1)F 34a_100000199005_100011162410 [1,1,0,0,0,0|1,0,1]=4 1357 B15R1.8 CC(C)(C#N)NCCc1ccc(cc1)O 34a_100000743037_100011162410 [1,1,0,0,0,0|1,0,1]=4 1358 B15R1.8 CC(C)(CCl)OCCc1ccc(cc1)Br 7a_100000764493_100011740612 [1,1,0,0,0,0|2,0,0]=4 1359 B15R1.8 CC(C)(CCl)OCCc1ccc(cc1)Cl 7a_100000764493_100011713675 [1,1,0,0,0,0|2,0,0]=4 1360 B15R1.8 CC(C)(CCl)OCCc1ccc(cc1)F 7a_100000764493_100011217392 [1,1,0,0,0,0|2,0,0]=4 1361 B15R1.8 CC(C)(CCl)OCCc1ccc(cc1)O 7a_100000764493_100009816426 [1,1,0,0,0,0|2,0,0]=4 1362 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Br 207a_100020635058_100000186029 [1,1,0,0,0,0|2,0,0]=4 1363 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Br 2230a_100020635058_100011217064 [1,1,0,0,0,0|2,0,0]=4 1364 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Br 26a_100020635058_100000185759 [1,1,0,0,0,0|2,0,0]=4 1365 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Br 270004a_100020635058_100000186029 [1,1,0,0,0,0|2,0,0]=4 1366 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Br 34a_100000174875_100009813988 [1,1,0,0,0,0|2,0,0]=4 1367 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 207a_100020635058_100000189385 [1,1,0,0,0,0|2,0,0]=4 1368 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 2230a_100020635058_100000694040 [1,1,0,0,0,0|2,0,0]=4 1369 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 270004a_100020635058_100000189385 [1,1,0,0,0,0|2,0,0]=4 1370 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 34a_100000174871_100009813988 [1,1,0,0,0,0|2,0,0]=4 1371 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)F 207a_100020635058_100000210084 [1,1,0,0,0,0|2,0,0]=4 1372 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)F 2230a_100020635058_100000198546 [1,1,0,0,0,0|2,0,0]=4 1373 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)F 270004a_100020635058_100000210084 [1,1,0,0,0,0|2,0,0]=4 1374 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)F 34a_100000174882_100009813988 [1,1,0,0,0,0|2,0,0]=4 1375 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)I 207a_100020635058_100000188517 [1,1,0,0,0,0|2,0,0]=4 1376 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)I 2230a_100020635058_100000189116 [1,1,0,0,0,0|2,0,0]=4 1377 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)I 34a_100016989417_100009813988 [1,1,0,0,0,0|2,0,0]=4 1378 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)O 34a_100000185549_100009813988 [1,1,0,0,0,0|2,0,0]=4 1379 B15R1.8 CC(C)(CO)COCc1ccc(cc1)Br 34a_100000695286_100009813988 [1,1,0,0,0,0|2,0,0]=4 1380 B15R1.8 CC(C)(CO)COCc1ccc(cc1)Cl 34a_100000211118_100009813988 [1,1,0,0,0,0|2,0,0]=4 1381 B15R1.8 CC(C)(CO)COCc1ccc(cc1)Cl 7a_100000211118_100009813988 [1,1,0,0,0,0|2,0,0]=4 1382 B15R1.8 CC(C)(CO)COCc1ccc(cc1)F 34a_100000210977_100009813988 [1,1,0,0,0,0|2,0,0]=4 1383 B15R1.8 CC(C)(CO)COCc1ccc(cc1)F 7a_100000210977_100009813988 [1,1,0,0,0,0|2,0,0]=4 1384 B15R1.8 CC(C)(CO)COCc1ccc(cc1)I 34a_100000690907_100009813988 [1,1,0,0,0,0|2,0,0]=4 1385 B15R1.8 CC(C)(CO)COCc1ccc(cc1)I 7a_100000690907_100009813988 [1,1,0,0,0,0|2,0,0]=4 1386 B15R1.8 CC(C)(CO)COCc1ccc(cc1)N 34a_100011215238_100009813988 [1,1,0,0,0,0|2,0,0]=4 1387 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)Br 62a_100000189115_100009813988 [1,1,0,0,0,0|2,0,0]=4 1388 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)Br 62a_100009813988_100000189115 [1,1,0,0,0,0|2,0,0]=4 1389 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)Cl 62a_100000187161_100009813988 [1,1,0,0,0,0|2,0,0]=4 1390 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)Cl 62a_100009813988_100000187161 [1,1,0,0,0,0|2,0,0]=4 1391 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)F 62a_100000198546_100009813988 [1,1,0,0,0,0|2,0,0]=4 1392 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)F 62a_100009813988_100000187164 [1,1,0,0,0,0|2,0,0]=4 1393 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)I 62a_100000189116_100009813988 [1,1,0,0,0,0|2,0,0]=4 1394 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)I 62a_100009813988_100000189116 [1,1,0,0,0,0|2,0,0]=4 1395 B15R1.8 CC(C)(CO)NCCc1ccc(cc1)Br 2230a_100000210608_100011740612 [1,1,0,0,0,0|0,0,0]=2 1396 B15R1.8 CC(C)(CO)NCCc1ccc(cc1)Cl 2230a_100000210608_100011713675 [1,1,0,0,0,0|0,0,0]=2 1397 B15R1.8 CC(C)(CO)NCCc1ccc(cc1)F 2230a_100000210608_100011217392 [1,1,0,0,0,0|0,0,0]=2 1398 B15R1.8 CC(C)(CO)NCCc1ccc(cc1)O 2230a_100000210608_100009816426 [1,1,0,0,0,0|0,0,0]=2 1399 B15R1.8 CCC(C)(C)NCCc1ccc(cc1)Br 2230a_100000211385_100011740612 [1,1,0,0,0,0|1,0,0]=3 1400 B15R1.8 CCC(C)(C)NCCc1ccc(cc1)C 2230a_100000211385_100011713686 [1,1,0,0,0,0|1,0,0]=3 1401 B15R1.8 CCC(C)(C)NCCc1ccc(cc1)Cl 2230a_100000211385_100011713675 [1,1,0,0,0,0|1,0,0]=3 1402 B15R1.8 CCC(C)(C)NCCc1ccc(cc1)F 2230a_100000211385_100011217392 [1,1,0,0,0,0|1,0,0]=3 1403 B15R1.8 CCC(C)(C)NCCc1ccc(cc1)O 2230a_100000211385_100009816426 [1,1,0,0,0,0|1,0,0]=3 1404 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)Br 7a_100000210230_100011740612 [1,1,0,0,0,0|2,0,0]=4 1405 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)Br 7a_100000766406_100000210677 [1,1,0,0,0,0|2,0,0]=4 1406 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)C 7a_100000210230_100011713686 [1,1,0,0,0,0|2,0,0]=4 1407 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)C 7a_100000756670_100000210677 [1,1,0,0,0,0|2,0,0]=4 1408 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)Cl 7a_100000210230_100011713675 [1,1,0,0,0,0|2,0,0]=4 1409 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000210677 [1,1,0,0,0,0|2,0,0]=4 1410 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)F 7a_100000210230_100011217392 [1,1,0,0,0,0|2,0,0]=4 1411 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)F 7a_100000754732_100000210677 [1,1,0,0,0,0|2,0,0]=4 1412 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)I 7a_100012291149_100000210677 [1,1,0,0,0,0|2,0,0]=4 1413 B15R1.8 CCC(C)(C)OCCc1ccc(cc1)O 7a_100000210230_100009816426 [1,1,0,0,0,0|2,0,0]=4 1414 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)Br 62a_100000032637_100011740612 [1,1,0,0,0,0|2,0,0]=4 1415 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)Br 62a_100011740612_100000032637 [1,1,0,0,0,0|2,0,0]=4 1416 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)C 62a_100000032637_100011713686 [1,1,0,0,0,0|2,0,0]=4 1417 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)C 62a_100011713686_100000032637 [1,1,0,0,0,0|2,0,0]=4 1418 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)Cl 62a_100000032637_100011713675 [1,1,0,0,0,0|2,0,0]=4 1419 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000032637 [1,1,0,0,0,0|2,0,0]=4 1420 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)F 62a_100000032637_100011217392 [1,1,0,0,0,0|2,0,0]=4 1421 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)F 62a_100011217392_100000032637 [1,1,0,0,0,0|2,0,0]=4 1422 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)O 62a_100000032637_100009816426 [1,1,0,0,0,0|2,0,0]=4 1423 B15R1.8 CCC(C)(C)SCCc1ccc(cc1)O 62a_100009816426_100000032637 [1,1,0,0,0,0|2,0,0]=4 1424 B15R1.8 Cc1ccc(cc1)CCNC(C)(C)C#N 34a_100000705350_100011162410 [1,1,0,0,0,0|1,0,1]=4 1425 B15R1.8 Cc1ccc(cc1)CCNC(C)(C)CO 2230a_100000210608_100011713686 [1,1,0,0,0,0|0,0,0]=2 1426 B15R1.8 Cc1ccc(cc1)CCOC(C)(C)CCl 7a_100000764493_100011713686 [1,1,0,0,0,0|2,0,0]=4 1427 B15R1.8 Cc1ccc(cc1)CNCC(C)(C)CO 207a_100020635058_100000211033 [1,1,0,0,0,0|2,0,0]=4 1428 B15R1.8 Cc1ccc(cc1)CNCC(C)(C)CO 2230a_100020635058_100000210814 [1,1,0,0,0,0|2,0,0]=4 1429 B15R1.8 Cc1ccc(cc1)CNCC(C)(C)CO 26a_100020635058_200020625495 [1,1,0,0,0,0|2,0,0]=4 1430 B15R1.8 Cc1ccc(cc1)CNCC(C)(C)CO 270004a_100020635058_100000211033 [1,1,0,0,0,0|2,0,0]=4 1431 B15R1.8 Cc1ccc(cc1)CNCC(C)(C)CO 34a_100000174908_100009813988 [1,1,0,0,0,0|2,0,0]=4 1432 B15R1.8 Cc1ccc(cc1)COCC(C)(C)CO 34a_100011215236_100009813988 [1,1,0,0,0,0|2,0,0]=4 1433 B15R1.8 Cc1ccc(cc1)COCC(C)(C)CO 7a_100011215236_100009813988 [1,1,0,0,0,0|2,0,0]=4 1434 B15R1.8 Cc1ccc(cc1)CSCC(C)(C)CO 62a_100000210814_100009813988 [1,1,0,0,0,0|2,0,0]=4 1435 B15R1.8 Cc1ccc(cc1)CSCC(C)(C)CO 62a_100009813988_100000210814 [1,1,0,0,0,0|2,0,0]=4 1436 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)Br 34a_100000054563_100011740638 [1,1,0,0,0,0|1,0,1]=4 1437 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)Br 34a_100011207229_100000038118 [1,1,0,0,0,0|1,0,1]=4 1438 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)C 34a_100000054563_100011713685 [1,1,0,0,0,0|1,0,1]=4 1439 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)C 34a_100000749837_100000038118 [1,1,0,0,0,0|1,0,1]=4 1440 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)Cl 34a_100000054563_100011713710 [1,1,0,0,0,0|1,0,1]=4 1441 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)Cl 34a_100000185263_100000038118 [1,1,0,0,0,0|1,0,1]=4 1442 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)F 34a_100000054563_100011217235 [1,1,0,0,0,0|1,0,1]=4 1443 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)F 34a_100000205154_100000038118 [1,1,0,0,0,0|1,0,1]=4 1444 B15R1.301 C#CC(C)(C)NCCc1cccc(c1)O 34a_100000747277_100000038118 [1,1,0,0,0,0|1,0,1]=4 1445 B15R1.301 CC(C)(C#N)NCCc1cccc(c1)Br 34a_100011207229_100011162410 [1,1,0,0,0,0|1,0,1]=4 1446 B15R1.301 CC(C)(C#N)NCCc1cccc(c1)Cl 34a_100000185263_100011162410 [1,1,0,0,0,0|1,0,1]=4 1447 B15R1.301 CC(C)(C#N)NCCc1cccc(c1)F 34a_100000205154_100011162410 [1,1,0,0,0,0|1,0,1]=4 1448 B15R1.301 CC(C)(C#N)NCCc1cccc(c1)O 34a_100000747277_100011162410 [1,1,0,0,0,0|1,0,1]=4 1449 B15R1.301 CC(C)(CCl)OCCc1cccc(c1)Br 7a_100000764493_100011740638 [1,1,0,0,0,0|2,0,0]=4 1450 B15R1.301 CC(C)(CCl)OCCc1cccc(c1)Cl 7a_100000764493_100011713710 [1,1,0,0,0,0|2,0,0]=4 1451 B15R1.301 CC(C)(CCl)OCCc1cccc(c1)F 7a_100000764493_100011217235 [1,1,0,0,0,0|2,0,0]=4 1452 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Br 207a_100020635058_100000210085 [1,1,0,0,0,0|2,0,0]=4 1453 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Br 2230a_100020635058_100000698116 [1,1,0,0,0,0|2,0,0]=4 1454 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Br 26a_100020635058_100000210342 [1,1,0,0,0,0|2,0,0]=4 1455 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Br 270004a_100020635058_100000210085 [1,1,0,0,0,0|2,0,0]=4 1456 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Br 34a_100000174977_100009813988 [1,1,0,0,0,0|2,0,0]=4 1457 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Cl 207a_100020635058_100000210801 [1,1,0,0,0,0|2,0,0]=4 1458 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Cl 2230a_100020635058_100000181238 [1,1,0,0,0,0|2,0,0]=4 1459 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Cl 270004a_100020635058_100000210801 [1,1,0,0,0,0|2,0,0]=4 1460 B15R1.301 CC(C)(CO)CNCc1cccc(c1)Cl 34a_100000174878_100009813988 [1,1,0,0,0,0|2,0,0]=4 1461 B15R1.301 CC(C)(CO)CNCc1cccc(c1)F 207a_100020635058_100000210812 [1,1,0,0,0,0|2,0,0]=4 1462 B15R1.301 CC(C)(CO)CNCc1cccc(c1)F 2230a_100020635058_100000230114 [1,1,0,0,0,0|2,0,0]=4 1463 B15R1.301 CC(C)(CO)CNCc1cccc(c1)F 270004a_100020635058_100000210812 [1,1,0,0,0,0|2,0,0]=4 1464 B15R1.301 CC(C)(CO)CNCc1cccc(c1)F 34a_100000174948_100009813988 [1,1,0,0,0,0|2,0,0]=4 1465 B15R1.301 CC(C)(CO)CNCc1cccc(c1)I 207a_100020635058_100000014684 [1,1,0,0,0,0|2,0,0]=4 1466 B15R1.301 CC(C)(CO)CNCc1cccc(c1)I 2230a_100020635058_100011218688 [1,1,0,0,0,0|2,0,0]=4 1467 B15R1.301 CC(C)(CO)CNCc1cccc(c1)I 270004a_100020635058_100000014684 [1,1,0,0,0,0|2,0,0]=4 1468 B15R1.301 CC(C)(CO)CNCc1cccc(c1)I 34a_100000106179_100009813988 [1,1,0,0,0,0|2,0,0]=4 1469 B15R1.301 CC(C)(CO)CNCc1cccc(c1)O 207a_100020635058_100000188321 [1,1,0,0,0,0|2,0,0]=4 1470 B15R1.301 CC(C)(CO)CNCc1cccc(c1)O 2230a_100020635058_100011660834 [1,1,0,0,0,0|2,0,0]=4 1471 B15R1.301 CC(C)(CO)CNCc1cccc(c1)O 270004a_100020635058_100000188321 [1,1,0,0,0,0|2,0,0]=4 1472 B15R1.301 CC(C)(CO)CNCc1cccc(c1)O 34a_100000743036_100009813988 [1,1,0,0,0,0|2,0,0]=4 1473 B15R1.301 CC(C)(CO)COCc1cccc(c1)Br 34a_100000687537_100009813988 [1,1,0,0,0,0|2,0,0]=4 1474 B15R1.301 CC(C)(CO)COCc1cccc(c1)Br 7a_100000687537_100009813988 [1,1,0,0,0,0|2,0,0]=4 1475 B15R1.301 CC(C)(CO)COCc1cccc(c1)Cl 34a_100000241301_100009813988 [1,1,0,0,0,0|2,0,0]=4 1476 B15R1.301 CC(C)(CO)COCc1cccc(c1)Cl 7a_100000241301_100009813988 [1,1,0,0,0,0|2,0,0]=4 1477 B15R1.301 CC(C)(CO)COCc1cccc(c1)F 34a_100000210976_100009813988 [1,1,0,0,0,0|2,0,0]=4 1478 B15R1.301 CC(C)(CO)COCc1cccc(c1)F 7a_100000210976_100009813988 [1,1,0,0,0,0|2,0,0]=4 1479 B15R1.301 CC(C)(CO)COCc1cccc(c1)I 34a_100011215336_100009813988 [1,1,0,0,0,0|2,0,0]=4 1480 B15R1.301 CC(C)(CO)COCc1cccc(c1)I 7a_100011215336_100009813988 [1,1,0,0,0,0|2,0,0]=4 1481 B15R1.301 CC(C)(CO)COCc1cccc(c1)N 34a_100000211919_100009813988 [1,1,0,0,0,0|2,0,0]=4 1482 B15R1.301 CC(C)(CO)CSCc1cccc(c1)Br 62a_100000211773_100009813988 [1,1,0,0,0,0|2,0,0]=4 1483 B15R1.301 CC(C)(CO)CSCc1cccc(c1)Br 62a_100009813988_100000211773 [1,1,0,0,0,0|2,0,0]=4 1484 B15R1.301 CC(C)(CO)CSCc1cccc(c1)Cl 62a_100000187163_100009813988 [1,1,0,0,0,0|2,0,0]=4 1485 B15R1.301 CC(C)(CO)CSCc1cccc(c1)Cl 62a_100009813988_100000187163 [1,1,0,0,0,0|2,0,0]=4 1486 B15R1.301 CC(C)(CO)CSCc1cccc(c1)F 62a_100000230114_100009813988 [1,1,0,0,0,0|2,0,0]=4 1487 B15R1.301 CC(C)(CO)CSCc1cccc(c1)F 62a_100009813988_100000230114 [1,1,0,0,0,0|2,0,0]=4 1488 B15R1.301 CC(C)(CO)CSCc1cccc(c1)I 62a_100009813988_100011218688 [1,1,0,0,0,0|2,0,0]=4 1489 B15R1.301 CC(C)(CO)CSCc1cccc(c1)I 62a_100011218688_100009813988 [1,1,0,0,0,0|2,0,0]=4 1490 B15R1.301 CC(C)(CO)CSCc1cccc(c1)O 62a_100009813988_100011660834 [1,1,0,0,0,0|2,0,0]=4 1491 B15R1.301 CC(C)(CO)CSCc1cccc(c1)O 62a_100011660834_100009813988 [1,1,0,0,0,0|2,0,0]=4 1492 B15R1.301 CC(C)(CO)NCCc1cccc(c1)Br 2230a_100000210608_100011740638 [1,1,0,0,0,0|0,0,0]=2 1493 B15R1.301 CC(C)(CO)NCCc1cccc(c1)Cl 2230a_100000210608_100011713710 [1,1,0,0,0,0|0,0,0]=2 1494 B15R1.301 CC(C)(CO)NCCc1cccc(c1)F 2230a_100000210608_100011217235 [1,1,0,0,0,0|0,0,0]=2 1495 B15R1.301 CCC(C)(C)NCCc1cccc(c1)Br 2230a_100000211385_100011740638 [1,1,0,0,0,0|1,0,0]=3 1496 B15R1.301 CCC(C)(C)NCCc1cccc(c1)C 2230a_100000211385_100011713685 [1,1,0,0,0,0|1,0,0]=3 1497 B15R1.301 CCC(C)(C)NCCc1cccc(c1)Cl 2230a_100000211385_100011713710 [1,1,0,0,0,0|1,0,0]=3 1498 B15R1.301 CCC(C)(C)NCCc1cccc(c1)F 2230a_100000211385_100011217235 [1,1,0,0,0,0|1,0,0]=3 1499 B15R1.301 CCC(C)(C)OCCc1cccc(c1)Br 7a_100000210230_100011740638 [1,1,0,0,0,0|2,0,0]=4 1500 B15R1.301 CCC(C)(C)OCCc1cccc(c1)Br 7a_100011217444_100000210677 [1,1,0,0,0,0|2,0,0]=4 1501 B15R1.301 CCC(C)(C)OCCc1cccc(c1)C 7a_100000210230_100011713685 [1,1,0,0,0,0|2,0,0]=4 1502 B15R1.301 CCC(C)(C)OCCc1cccc(c1)C 7a_100011217157_100000210677 [1,1,0,0,0,0|2,0,0]=4 1503 B15R1.301 CCC(C)(C)OCCc1cccc(c1)Cl 7a_100000210230_100011713710 [1,1,0,0,0,0|2,0,0]=4 1504 B15R1.301 CCC(C)(C)OCCc1cccc(c1)Cl 7a_100000754733_100000210677 [1,1,0,0,0,0|2,0,0]=4 1505 B15R1.301 CCC(C)(C)OCCc1cccc(c1)F 7a_100000210230_100011217235 [1,1,0,0,0,0|2,0,0]=4 1506 B15R1.301 CCC(C)(C)OCCc1cccc(c1)F 7a_100000763591_100000210677 [1,1,0,0,0,0|2,0,0]=4 1507 B15R1.301 CCC(C)(C)SCCc1cccc(c1)Br 62a_100000032637_100011740638 [1,1,0,0,0,0|2,0,0]=4 1508 B15R1.301 CCC(C)(C)SCCc1cccc(c1)Br 62a_100011740638_100000032637 [1,1,0,0,0,0|2,0,0]=4 1509 B15R1.301 CCC(C)(C)SCCc1cccc(c1)C 62a_100000032637_100011713685 [1,1,0,0,0,0|2,0,0]=4 1510 B15R1.301 CCC(C)(C)SCCc1cccc(c1)C 62a_100011713685_100000032637 [1,1,0,0,0,0|2,0,0]=4 1511 B15R1.301 CCC(C)(C)SCCc1cccc(c1)Cl 62a_100000032637_100011713710 [1,1,0,0,0,0|2,0,0]=4 1512 B15R1.301 CCC(C)(C)SCCc1cccc(c1)Cl 62a_100011713710_100000032637 [1,1,0,0,0,0|2,0,0]=4 1513 B15R1.301 CCC(C)(C)SCCc1cccc(c1)F 62a_100000032637_100011217235 [1,1,0,0,0,0|2,0,0]=4 1514 B15R1.301 CCC(C)(C)SCCc1cccc(c1)F 62a_100011217235_100000032637 [1,1,0,0,0,0|2,0,0]=4 1515 B15R1.301 Cc1cccc(c1)CCNC(C)(C)C#N 34a_100000749837_100011162410 [1,1,0,0,0,0|1,0,1]=4 1516 B15R1.301 Cc1cccc(c1)CCNC(C)(C)CO 2230a_100000210608_100011713685 [1,1,0,0,0,0|0,0,0]=2 1517 B15R1.301 Cc1cccc(c1)CCOC(C)(C)CCl 7a_100000764493_100011713685 [1,1,0,0,0,0|2,0,0]=4 1518 B15R1.301 Cc1cccc(c1)CNCC(C)(C)CO 207a_100020635058_100000211157 [1,1,0,0,0,0|2,0,0]=4 1519 B15R1.301 Cc1cccc(c1)CNCC(C)(C)CO 2230a_100020635058_100000211840 [1,1,0,0,0,0|2,0,0]=4 1520 B15R1.301 Cc1cccc(c1)CNCC(C)(C)CO 270004a_100020635058_100000211157 [1,1,0,0,0,0|2,0,0]=4 1521 B15R1.301 Cc1cccc(c1)CNCC(C)(C)CO 34a_100000185548_100009813988 [1,1,0,0,0,0|2,0,0]=4 1522 B15R1.301 Cc1cccc(c1)COCC(C)(C)CO 34a_100011217746_100009813988 [1,1,0,0,0,0|2,0,0]=4 1523 B15R1.301 Cc1cccc(c1)COCC(C)(C)CO 7a_100011217746_100009813988 [1,1,0,0,0,0|2,0,0]=4 1524 B15R1.301 Cc1cccc(c1)CSCC(C)(C)CO 62a_100000211840_100009813988 [1,1,0,0,0,0|2,0,0]=4 1525 B15R1.301 Cc1cccc(c1)CSCC(C)(C)CO 62a_100009813988_100000211840 [1,1,0,0,0,0|2,0,0]=4 1526 B15R1.339 C#CC(C)(C)NC(C)Cc1ccccc1 34a_100000054563_200011218536 [1,1,0,0,0,0|1,0,1]=4 1527 B15R1.339 CC(C)(CO)NC(=O)C[n+]1ccccc1 240690a_100000210608_200000086051 [1,1,0,0,0,0|1,0,1]=4 1528 B15R1.339 CC(C)(CO)NC(=O)C[n+]1ccccc1 527a_100020618417_200000086051 [1,1,0,0,0,0|1,0,1]=4 1529 B15R1.339 CC(C)(CO)NC(=O)Cc1cccnc1 240690a_100000210608_100000737805 [1,1,0,0,0,0|1,0,1]=4 1530 B15R1.339 CC(C)(CO)NC(=O)Cc1cccnc1 527a_100020618417_100000737805 [1,1,0,0,0,0|1,0,1]=4 1531 B15R1.339 CC(C)(CO)NC(=O)Cc1ccncc1 240690a_100000210608_100011201483 [1,1,0,0,0,0|1,0,1]=4 1532 B15R1.339 CC(C)(CO)NC(=O)Nc1ccccc1 2430a_100000106764_100000210608 [1,1,0,0,0,0|1,0,1]=4 1533 B15R1.339 CC(C[n+]1ccccc1)NC(C)(C)CO 270004a_100000210608_100000034229 [1,1,0,0,0,0|1,0,0]=3 1534 B15R1.339 CC(Cc1ccccc1)OC(C)(C)CCl 7a_100000764493_200011218536 [1,1,0,0,0,0|2,0,0]=4 1535 B15R1.339 CC(Cc1cccnc1)NC(C)(C)CO 270004a_100000210608_100015187140 [1,1,0,0,0,0|1,0,0]=3 1536 B15R1.339 CC(Cc1ccncc1)NC(C)(C)CO 270004a_100000210608_100000238508 [1,1,0,0,0,0|1,0,0]=3 1537 B15R1.339 CC(Cc1cnccn1)NC(C)(C)CO 270004a_100000210608_100015184882 [1,1,0,0,0,0|2,0,0]=4 1538 B15R1.339 CCC(C)(C)NC(C)C[n+]1ccccc1 270004a_100000211385_100000034229 [1,1,0,0,0,0|2,0,0]=4 1539 B15R1.339 CCC(C)(C)NC(C)Cc1cccnc1 270004a_100000211385_100015187140 [1,1,0,0,0,0|2,0,0]=4 1540 B15R1.339 CCC(C)(C)NC(C)Cc1ccncc1 270004a_100000211385_100000238508 [1,1,0,0,0,0|2,0,0]=4 1541 B15R1.339 CCC(C)(C)OC(C)Cc1ccccc1 7a_100000210230_200011218536 [1,1,0,0,0,0|2,0,0]=4 1542 B15R1.339 CCC(C)(C)OC(C)Cc1ccccc1 7a_100000748627_100000210677 [1,1,0,0,0,0|2,0,0]=4 1543 B15R1.339 CCC(C)(C)SC(C)Cc1ccccc1 62a_100000032637_200011218536 [1,1,0,0,0,0|2,0,0]=4 1544 B15R1.339 CCC(C)(C)SC(C)Cc1ccccc1 62a_200011218536_100000032637 [1,1,0,0,0,0|2,0,0]=4 1545 B15R1.339 CN(Cc1ccccc1)CC(C)(C)CO 2230a_100000732702_100015291786 [1,1,0,0,0,0|2,0,0]=4 1546 B15R1.339 CN(Cc1ccccc1)CC(C)(C)CO 269982a_100000732702_100000211182 [1,1,0,0,0,0|2,0,0]=4 1547 B15R1.339 CN(Cc1ccccc1)CC(C)(C)CO 270004a_100000732702_100015611070 [1,1,0,0,0,0|2,0,0]=4 1548 B15R1.348 CC(C)(CF)C(=O)CCc1ccccc1 1458a_100000138116_100000765856 [1,1,0,0,0,0|2,0,0]=4 1549 B15R1.348 CC(C)(CO)C(=O)CCc1ccccc1 1458a_100000749806_100000765856 [1,1,0,0,0,0|1,0,0]=3 1550 B15R1.348 CC(C)(CO)C(=O)CCc1ccccn1 1458a_100000749806_100015183660 [1,1,0,0,0,0|2,0,0]=4 1551 B15R1.348 CC(C)(CO)C(=O)CCc1cccnc1 1458a_100000749806_200011713674 [1,1,0,0,0,0|2,0,0]=4 1552 B15R1.348 CC(C)(CO)C(=O)CCc1ccncc1 1458a_100000749806_100000723409 [1,1,0,0,0,0|2,0,0]=4 1553 B15R1.348 CC(C)(CO)C(=O)NCc1ccccc1 1626a_100015324214_100000749806 [1,1,0,0,0,0|2,0,0]=4 1554 B15R1.348 CC(C)(CO)C(=O)NCc1ccccc1 240690a_100015324214_100000749806 [1,1,0,0,0,0|2,0,0]=4 1555 B15R1.348 CC(C)(CO)C(=O)NCc1ccccc1 527a_100015324214_100000749806 [1,1,0,0,0,0|2,0,0]=4 1556 B15R1.348 CCC(C)(C)C(=O)CCc1ccccc1 1458a_100000749717_100000765856 [1,1,0,0,0,0|2,0,0]=4 1557 B15R1.348 CCC(C)(C)N(C)CCc1ccccc1 2230a_200000755171_100000765856 [1,1,0,0,0,0|1,0,0]=3 1558 B15R1.348 CCC(C)(C)N(C)CCc1ccccc1 269982a_100000207497_100000032637 [1,1,0,0,0,0|1,0,0]=3 1559 B15R1.348 CCC(C)(C)N(C)CCc1ccccc1 269982a_200000755171_100000765856 [1,1,0,0,0,0|1,0,0]=3 1560 B15R1.348 CCC(C)(C)N(C)CCc1ccccn1 2230a_200000755171_100015183660 [1,1,0,0,0,0|2,0,0]=4 1561 B15R1.348 CCC(C)(C)N(C)CCc1ccccn1 269982a_100000737206_100000032637 [1,1,0,0,0,0|2,0,0]=4 1562 B15R1.348 CCC(C)(C)N(C)CCc1ccccn1 269982a_200000755171_100015183660 [1,1,0,0,0,0|2,0,0]=4 1563 B15R1.348 CCC(C)(C)N(C)CCc1cccnc1 2230a_200000755171_200011713674 [1,1,0,0,0,0|2,0,0]=4 1564 B15R1.348 CCC(C)(C)N(C)CCc1cccnc1 269982a_100000763209_100000032637 [1,1,0,0,0,0|2,0,0]=4 1565 B15R1.348 CCC(C)(C)N(C)CCc1cccnc1 269982a_200000755171_200011713674 [1,1,0,0,0,0|2,0,0]=4 1566 B15R1.348 CCC(C)(C)N(C)CCc1ccncc1 2230a_200000755171_100000723409 [1,1,0,0,0,0|2,0,0]=4 1567 B15R1.348 CCC(C)(C)N(C)CCc1ccncc1 269982a_100000742850_100000032637 [1,1,0,0,0,0|2,0,0]=4 1568 B15R1.348 CCC(C)(C)N(C)CCc1ccncc1 269982a_200000755171_100000723409 [1,1,0,0,0,0|2,0,0]=4 1569 B15R1.348 CCC(C)(C)N(C)CSc1ccccc1 2230a_200000755171_100011218342 [1,1,0,0,0,0|2,0,0]=4 1570 B15R1.348 CCC(C)(C)N(C)CSc1ccccc1 269982a_200000755171_100011218342 [1,1,0,0,0,0|2,0,0]=4 1571 B15R1.348 CN(CCc1ccccc1)C(C)(C)C#N 269982a_100000207497_100011162410 [1,1,0,0,0,0|1,0,1]=4 1572 B15R1.348 CN(CCc1ccccc1)C(C)(C)CO 269982a_100015204102_100000765856 [1,1,0,0,0,0|0,0,0]=2 1573 B15R1.348 CN(CCc1ccccn1)C(C)(C)CO 269982a_100015204102_100015183660 [1,1,0,0,0,0|1,0,0]=3 1574 B15R1.348 CN(CCc1cccnc1)C(C)(C)CO 269982a_100015204102_200011713674 [1,1,0,0,0,0|1,0,0]=3 1575 B15R1.348 CN(CCc1ccncc1)C(C)(C)CO 269982a_100015204102_100000723409 [1,1,0,0,0,0|1,0,0]=3 1576 B15R1.348 CN(CSc1ccccc1)C(C)(C)CO 269982a_100015204102_100011218342 [1,1,0,0,0,0|1,0,0]=3 1577 B15R1.3091 C#CC(C)(CC)NCCc1ccccc1 2230a_100000054623_100000765856 [1,1,0,0,0,0|1,0,1]=4 1578 B15R1.3091 CCC(C)(CC)OCCc1ccccc1 7a_100000210268_100009817345 [1,1,0,0,0,0|2,0,0]=4 1579 B15R1.3091 CCC(C)(CC)OCCc1ccccc1 7a_100000755174_100000765856 [1,1,0,0,0,0|2,0,0]=4 1580 B15R1.3091 CCC(C)(CC)SCCc1ccccc1 62a_100000765856_100009817345 [1,1,0,0,0,0|2,0,0]=4 1581 B15R1.3091 CCC(C)(CC)SCCc1ccccc1 62a_100009817345_100011218657 [1,1,0,0,0,0|2,0,0]=4 1582 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Br 34a_100000054563_100012161201 [1,1,0,0,0,0|1,0,1]=4 1583 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Br 34a_100000747383_100000038118 [1,1,0,0,0,0|1,0,1]=4 1584 B15R1.7696 C#CC(C)(C)NCCc1ccccc1C 34a_100000054563_100011713688 [1,1,0,0,0,0|1,0,1]=4 1585 B15R1.7696 C#CC(C)(C)NCCc1ccccc1C 34a_100000685071_100000038118 [1,1,0,0,0,0|1,0,1]=4 1586 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Cl 270004a_100000054563_200011713468 [1,1,0,0,0,0|1,0,1]=4 1587 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Cl 34a_100000054563_100011713703 [1,1,0,0,0,0|1,0,1]=4 1588 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Cl 34a_100011207228_100000038118 [1,1,0,0,0,0|1,0,1]=4 1589 B15R1.7696 C#CC(C)(C)NCCc1ccccc1F 34a_100000054563_100000720011 [1,1,0,0,0,0|1,0,1]=4 1590 B15R1.7696 C#CC(C)(C)NCCc1ccccc1F 34a_100000185272_100000038118 [1,1,0,0,0,0|1,0,1]=4 1591 B15R1.7696 C#CC(C)(C)NCCc1ccccc1O 34a_100000054563_100000722297 [1,1,0,0,0,0|1,0,1]=4 1592 B15R1.7696 C#CC(C)(C)NCCc1ccccc1O 34a_100011207237_100000038118 [1,1,0,0,0,0|1,0,1]=4 1593 B15R1.7696 CC(C)(C#N)NCCc1ccccc1Br 34a_100000747383_100011162410 [1,1,0,0,0,0|1,0,1]=4 1594 B15R1.7696 CC(C)(C#N)NCCc1ccccc1Cl 34a_100011207228_100011162410 [1,1,0,0,0,0|1,0,1]=4 1595 B15R1.7696 CC(C)(C#N)NCCc1ccccc1F 34a_100000185272_100011162410 [1,1,0,0,0,0|1,0,1]=4 1596 B15R1.7696 CC(C)(C#N)NCCc1ccccc1O 34a_100011207237_100011162410 [1,1,0,0,0,0|1,0,1]=4 1597 B15R1.7696 CC(C)(CCl)OCCc1ccccc1Br 7a_100000764493_100012161201 [1,1,0,0,0,0|2,0,0]=4 1598 B15R1.7696 CC(C)(CCl)OCCc1ccccc1Cl 7a_100000764493_100011713703 [1,1,0,0,0,0|2,0,0]=4 1599 B15R1.7696 CC(C)(CCl)OCCc1ccccc1F 7a_100000764493_100000720011 [1,1,0,0,0,0|2,0,0]=4 1600 B15R1.7696 CC(C)(CCl)OCCc1ccccc1O 7a_100000764493_100000722297 [1,1,0,0,0,0|2,0,0]=4 1601 B15R1.7696 CC(C)(CO)CNCc1ccccc1Br 207a_100020635058_100000211189 [1,1,0,0,0,0|2,0,0]=4 1602 B15R1.7696 CC(C)(CO)CNCc1ccccc1Br 2230a_100020635058_100000184730 [1,1,0,0,0,0|2,0,0]=4 1603 B15R1.7696 CC(C)(CO)CNCc1ccccc1Br 26a_100020635058_100000181306 [1,1,0,0,0,0|2,0,0]=4 1604 B15R1.7696 CC(C)(CO)CNCc1ccccc1Br 270004a_100020635058_100000211189 [1,1,0,0,0,0|2,0,0]=4 1605 B15R1.7696 CC(C)(CO)CNCc1ccccc1Br 34a_100000689332_100009813988 [1,1,0,0,0,0|2,0,0]=4 1606 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 207a_100020635058_100000210073 [1,1,0,0,0,0|2,0,0]=4 1607 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 2230a_100020635058_100000187162 [1,1,0,0,0,0|2,0,0]=4 1608 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 26a_100020635058_100000210172 [1,1,0,0,0,0|2,0,0]=4 1609 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 270004a_100020635058_100000210073 [1,1,0,0,0,0|2,0,0]=4 1610 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 34a_100000174879_100009813988 [1,1,0,0,0,0|2,0,0]=4 1611 B15R1.7696 CC(C)(CO)CNCc1ccccc1F 207a_100020635058_100000210811 [1,1,0,0,0,0|2,0,0]=4 1612 B15R1.7696 CC(C)(CO)CNCc1ccccc1F 2230a_100020635058_100000211605 [1,1,0,0,0,0|2,0,0]=4 1613 B15R1.7696 CC(C)(CO)CNCc1ccccc1F 270004a_100020635058_100000210811 [1,1,0,0,0,0|2,0,0]=4 1614 B15R1.7696 CC(C)(CO)CNCc1ccccc1F 34a_100000174869_100009813988 [1,1,0,0,0,0|2,0,0]=4 1615 B15R1.7696 CC(C)(CO)CNCc1ccccc1I 207a_100020635058_100000010305 [1,1,0,0,0,0|2,0,0]=4 1616 B15R1.7696 CC(C)(CO)CNCc1ccccc1I 2230a_100020635058_100011215278 [1,1,0,0,0,0|2,0,0]=4 1617 B15R1.7696 CC(C)(CO)CNCc1ccccc1I 270004a_100020635058_100000010305 [1,1,0,0,0,0|2,0,0]=4 1618 B15R1.7696 CC(C)(CO)CNCc1ccccc1O 34a_100000185550_100009813988 [1,1,0,0,0,0|2,0,0]=4 1619 B15R1.7696 CC(C)(CO)COCc1ccccc1Br 34a_100000756307_100009813988 [1,1,0,0,0,0|2,0,0]=4 1620 B15R1.7696 CC(C)(CO)COCc1ccccc1Br 7a_100000756307_100009813988 [1,1,0,0,0,0|2,0,0]=4 1621 B15R1.7696 CC(C)(CO)COCc1ccccc1Cl 34a_100000210847_100009813988 [1,1,0,0,0,0|2,0,0]=4 1622 B15R1.7696 CC(C)(CO)COCc1ccccc1Cl 7a_100000210847_100009813988 [1,1,0,0,0,0|2,0,0]=4 1623 B15R1.7696 CC(C)(CO)COCc1ccccc1F 34a_100000211962_100009813988 [1,1,0,0,0,0|2,0,0]=4 1624 B15R1.7696 CC(C)(CO)COCc1ccccc1F 7a_100000211962_100009813988 [1,1,0,0,0,0|2,0,0]=4 1625 B15R1.7696 CC(C)(CO)COCc1ccccc1I 34a_100000187465_100009813988 [1,1,0,0,0,0|2,0,0]=4 1626 B15R1.7696 CC(C)(CO)COCc1ccccc1I 7a_100000187465_100009813988 [1,1,0,0,0,0|2,0,0]=4 1627 B15R1.7696 CC(C)(CO)COCc1ccccc1N 34a_100000212039_100009813988 [1,1,0,0,0,0|2,0,0]=4 1628 B15R1.7696 CC(C)(CO)CSCc1ccccc1Br 62a_100000184730_100009813988 [1,1,0,0,0,0|2,0,0]=4 1629 B15R1.7696 CC(C)(CO)CSCc1ccccc1Br 62a_100009813988_100000184730 [1,1,0,0,0,0|2,0,0]=4 1630 B15R1.7696 CC(C)(CO)CSCc1ccccc1Cl 62a_100000187162_100009813988 [1,1,0,0,0,0|2,0,0]=4 1631 B15R1.7696 CC(C)(CO)CSCc1ccccc1Cl 62a_100009813988_100000187162 [1,1,0,0,0,0|2,0,0]=4 1632 B15R1.7696 CC(C)(CO)CSCc1ccccc1F 62a_100000211605_100009813988 [1,1,0,0,0,0|2,0,0]=4 1633 B15R1.7696 CC(C)(CO)CSCc1ccccc1F 62a_100009813988_100000211605 [1,1,0,0,0,0|2,0,0]=4 1634 B15R1.7696 CC(C)(CO)CSCc1ccccc1I 62a_100009813988_100011216222 [1,1,0,0,0,0|2,0,0]=4 1635 B15R1.7696 CC(C)(CO)CSCc1ccccc1I 62a_100011216222_100009813988 [1,1,0,0,0,0|2,0,0]=4 1636 B15R1.7696 CC(C)(CO)NCCc1ccccc1Br 2230a_100000210608_100012161201 [1,1,0,0,0,0|0,0,0]=2 1637 B15R1.7696 CC(C)(CO)NCCc1ccccc1Cl 2230a_100000210608_100011713703 [1,1,0,0,0,0|0,0,0]=2 1638 B15R1.7696 CC(C)(CO)NCCc1ccccc1Cl 270004a_100000210608_200011713468 [1,1,0,0,0,0|0,0,0]=2 1639 B15R1.7696 CC(C)(CO)NCCc1ccccc1F 2230a_100000210608_100011713696 [1,1,0,0,0,0|0,0,0]=2 1640 B15R1.7696 CCC(C)(C)NCCc1ccccc1Br 2230a_100000211385_100012161201 [1,1,0,0,0,0|1,0,0]=3 1641 B15R1.7696 CCC(C)(C)NCCc1ccccc1C 2230a_100000211385_100011713688 [1,1,0,0,0,0|1,0,0]=3 1642 B15R1.7696 CCC(C)(C)NCCc1ccccc1Cl 2230a_100000211385_100011713703 [1,1,0,0,0,0|1,0,0]=3 1643 B15R1.7696 CCC(C)(C)NCCc1ccccc1Cl 270004a_100000211385_200011713468 [1,1,0,0,0,0|1,0,0]=3 1644 B15R1.7696 CCC(C)(C)NCCc1ccccc1F 2230a_100000211385_100011713696 [1,1,0,0,0,0|1,0,0]=3 1645 B15R1.7696 CCC(C)(C)OCCc1ccccc1Br 7a_100000210230_100012161201 [1,1,0,0,0,0|2,0,0]=4 1646 B15R1.7696 CCC(C)(C)OCCc1ccccc1Br 7a_100000731337_100000210677 [1,1,0,0,0,0|2,0,0]=4 1647 B15R1.7696 CCC(C)(C)OCCc1ccccc1C 7a_100000210230_100011713688 [1,1,0,0,0,0|2,0,0]=4 1648 B15R1.7696 CCC(C)(C)OCCc1ccccc1C 7a_100011220023_100000210677 [1,1,0,0,0,0|2,0,0]=4 1649 B15R1.7696 CCC(C)(C)OCCc1ccccc1Cl 7a_100000210230_100011713703 [1,1,0,0,0,0|2,0,0]=4 1650 B15R1.7696 CCC(C)(C)OCCc1ccccc1Cl 7a_100011215284_100000210677 [1,1,0,0,0,0|2,0,0]=4 1651 B15R1.7696 CCC(C)(C)OCCc1ccccc1F 7a_100000210230_100000720011 [1,1,0,0,0,0|2,0,0]=4 1652 B15R1.7696 CCC(C)(C)OCCc1ccccc1F 7a_100000753711_100000210677 [1,1,0,0,0,0|2,0,0]=4 1653 B15R1.7696 CCC(C)(C)OCCc1ccccc1I 7a_100010255290_100000210677 [1,1,0,0,0,0|2,0,0]=4 1654 B15R1.7696 CCC(C)(C)OCCc1ccccc1O 7a_100000210230_100000722297 [1,1,0,0,0,0|2,0,0]=4 1655 B15R1.7696 CCC(C)(C)SCCc1ccccc1Br 62a_100000032637_100012161201 [1,1,0,0,0,0|2,0,0]=4 1656 B15R1.7696 CCC(C)(C)SCCc1ccccc1Br 62a_100012161201_100000032637 [1,1,0,0,0,0|2,0,0]=4 1657 B15R1.7696 CCC(C)(C)SCCc1ccccc1C 62a_100000032637_100011713688 [1,1,0,0,0,0|2,0,0]=4 1658 B15R1.7696 CCC(C)(C)SCCc1ccccc1C 62a_100011713688_100000032637 [1,1,0,0,0,0|2,0,0]=4 1659 B15R1.7696 CCC(C)(C)SCCc1ccccc1Cl 62a_100000032637_100011713703 [1,1,0,0,0,0|2,0,0]=4 1660 B15R1.7696 CCC(C)(C)SCCc1ccccc1Cl 62a_100011713703_100000032637 [1,1,0,0,0,0|2,0,0]=4 1661 B15R1.7696 CCC(C)(C)SCCc1ccccc1F 62a_100000032637_100011713696 [1,1,0,0,0,0|2,0,0]=4 1662 B15R1.7696 CCC(C)(C)SCCc1ccccc1F 62a_100011713696_100000032637 [1,1,0,0,0,0|2,0,0]=4 1663 B15R1.7696 CCC(C)(C)SCCc1ccccc1O 62a_100000032637_100000722297 [1,1,0,0,0,0|2,0,0]=4 1664 B15R1.7696 CCC(C)(C)SCCc1ccccc1O 62a_100000722297_100000032637 [1,1,0,0,0,0|2,0,0]=4 1665 B15R1.7696 Cc1ccccc1CCNC(C)(C)C#N 34a_100000685071_100011162410 [1,1,0,0,0,0|1,0,1]=4 1666 B15R1.7696 Cc1ccccc1CCNC(C)(C)CO 2230a_100000210608_100011713688 [1,1,0,0,0,0|0,0,0]=2 1667 B15R1.7696 Cc1ccccc1CCOC(C)(C)CCl 7a_100000764493_100011713688 [1,1,0,0,0,0|2,0,0]=4 1668 B15R1.7696 Cc1ccccc1CNCC(C)(C)CO 207a_100020635058_100000211143 [1,1,0,0,0,0|2,0,0]=4 1669 B15R1.7696 Cc1ccccc1CNCC(C)(C)CO 2230a_100020635058_100000211839 [1,1,0,0,0,0|2,0,0]=4 1670 B15R1.7696 Cc1ccccc1CNCC(C)(C)CO 270004a_100020635058_100000211143 [1,1,0,0,0,0|2,0,0]=4 1671 B15R1.7696 Cc1ccccc1CNCC(C)(C)CO 34a_100000174972_100009813988 [1,1,0,0,0,0|2,0,0]=4 1672 B15R1.7696 Cc1ccccc1COCC(C)(C)CO 34a_100000698903_100009813988 [1,1,0,0,0,0|2,0,0]=4 1673 B15R1.7696 Cc1ccccc1COCC(C)(C)CO 7a_100000698903_100009813988 [1,1,0,0,0,0|2,0,0]=4 1674 B15R1.7696 Cc1ccccc1CSCC(C)(C)CO 62a_100000211839_100009813988 [1,1,0,0,0,0|2,0,0]=4 1675 B15R1.7696 Cc1ccccc1CSCC(C)(C)CO 62a_100009813988_100000211839 [1,1,0,0,0,0|2,0,0]=4 1676 B15R1.9012 CC(C)(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702505 [1,1,0,0,0,0|0,0,2]=4 1677 B15R1.9012 CC(C)(NCCc1ccccc1)C(=O)N 2230a_100000743658_100000765856 [1,1,0,0,0,0|0,0,2]=4 1678 B15R1.9012 CC(C)(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702505 [1,1,0,0,0,0|0,0,2]=4 1679 B15R1.9012 CC(C)(NCCc1ccccc1)C(=O)N 34a_100000743658_100000765856 [1,1,0,0,0,0|0,0,2]=4 1680 B15R1.9012 CC(C)C(C)(C)NCCc1ccccc1 2230a_200160471154_100000765856 [1,1,0,0,0,0|1,0,0]=3 1681 B15R1.9012 CC(C)C(C)(C)NCCc1ccccn1 2230a_200160471154_100015183660 [1,1,0,0,0,0|2,0,0]=4 1682 B15R1.9012 CC(C)C(C)(C)NCCc1cccnc1 2230a_200160471154_200011713674 [1,1,0,0,0,0|2,0,0]=4 1683 B15R1.9012 CC(C)C(C)(C)NCCc1ccncc1 2230a_200160471154_100000723409 [1,1,0,0,0,0|2,0,0]=4 1684 B15R1.9012 CC(C)C(C)(C)NCSc1ccccc1 2230a_200160471154_100011218342 [1,1,0,0,0,0|2,0,0]=4 1685 B15R1.9012 CC(C)C(C)(C)OCCc1ccccc1 7a_100011215261_100000765856 [1,1,0,0,0,0|2,0,0]=4 1686 B15R1.9539 C=CCC(C)(C)OCCc1ccccc1 7a_100011995686_100000765856 [1,1,0,0,0,0|2,0,0]=4 1687 B15R1.9539 CC(C)(CCBr)OCCc1ccccc1 7a_100000702414_100000765856 [1,1,0,0,0,0|2,0,0]=4 1688 B15R1.9539 CC(C)(CO[13CH3])COCc1ccccc1 7a_100012877123_200025704644 [1,1,0,0,0,0|2,0,0]=4 1689 B15R1.9539 CCCC(C)(C)OCCc1ccccc1 7a_100000748436_100000765856 [1,1,0,0,0,0|2,0,0]=4 1690 B15R1.9539 COCC(C)(C)CNCc1ccccc1 207a_100000734190_100015611070 [1,1,0,0,0,0|2,0,0]=4 1691 B15R1.9539 COCC(C)(C)CNCc1ccccc1 2230a_100000734190_100015291786 [1,1,0,0,0,0|2,0,0]=4 1692 B15R1.9539 COCC(C)(C)CNCc1ccccc1 270004a_100000734190_100015611070 [1,1,0,0,0,0|2,0,0]=4 1693 B15R1.9539 COCC(C)(C)COCc1ccccc1 7a_100012877123_200000210301 [1,1,0,0,0,0|2,0,0]=4 1694 B15R1.9539 COCC(C)(C)NCCc1ccccc1 2230a_100000752728_100000765856 [1,1,0,0,0,0|0,0,0]=2 1695 B15R1.9539 COCC(C)(C)NCCc1ccccn1 2230a_100000752728_100015183660 [1,1,0,0,0,0|1,0,0]=3 1696 B15R1.9539 COCC(C)(C)NCCc1cccnc1 2230a_100000752728_200011713674 [1,1,0,0,0,0|1,0,0]=3 1697 B15R1.9539 COCC(C)(C)NCCc1ccncc1 2230a_100000752728_100000723409 [1,1,0,0,0,0|1,0,0]=3 1698 B15R1.9539 COCC(C)(C)NCSc1ccccc1 2230a_100000752728_100011218342 [1,1,0,0,0,0|1,0,0]=3 1699 B15R1.9539 CSCC(C)(C)NCCc1ccccc1 2230a_100000759623_100000765856 [1,1,0,0,0,0|0,1,0]=3 1700 B15R1.9539 CSCC(C)(C)NCCc1ccccc1 7a_100000759623_100000765856 [1,1,0,0,0,0|0,1,0]=3 1701 B15R1.9539 CSCC(C)(C)NCCc1ccccn1 2230a_100000759623_100015183660 [1,1,0,0,0,0|1,1,0]=4 1702 B15R1.9539 CSCC(C)(C)NCCc1ccccn1 7a_100000759623_100015183660 [1,1,0,0,0,0|1,1,0]=4 1703 B15R1.9539 CSCC(C)(C)NCCc1cccnc1 2230a_100000759623_200011713674 [1,1,0,0,0,0|1,1,0]=4 1704 B15R1.9539 CSCC(C)(C)NCCc1cccnc1 7a_100000759623_200011713674 [1,1,0,0,0,0|1,1,0]=4 1705 B15R1.9539 CSCC(C)(C)NCCc1ccncc1 2230a_100000759623_100000723409 [1,1,0,0,0,0|1,1,0]=4 1706 B15R1.9539 CSCC(C)(C)NCCc1ccncc1 7a_100000759623_100000723409 [1,1,0,0,0,0|1,1,0]=4 1707 B15R1.9539 CSCC(C)(C)NCSc1ccccc1 2230a_100000759623_100011218342 [1,1,0,0,0,0|1,1,0]=4 1708 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000210625 [1,1,0,0,0,0|0,0,0]=2 1709 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000715429_200011996143 [1,1,0,0,0,0|0,0,0]=2 1710 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210625 [1,1,0,0,0,0|0,0,0]=2 1711 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000210625 [1,1,0,0,0,0|0,0,0]=2 1712 B15R1.892 CC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000715429_100000720402 [1,1,0,0,0,0|0,0,0]=2 1713 B15R1.892 CC(C)(C)OCC(N)c1ccc(cc1)Br 34a_100000734186_100000210625 [1,1,0,0,0,0|2,0,0]=4 1714 B15R1.892 CC(C)(C)OCC(N)c1ccc(cc1)F 34a_100000705410_100000210625 [1,1,0,0,0,0|2,0,0]=4 1715 B15R1.892 CC(C)(C)OCC(O)c1ccc(cc1)Cl 34a_100015890283_200011996143 [1,1,0,0,0,0|1,0,0]=3 1716 B15R1.892 CC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100015890283_200011996143 [1,1,0,0,0,0|1,0,0]=3 1717 B15R1.892 CC(C)(C)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210625 [1,1,0,0,0,0|2,0,0]=4 1718 B15R1.892 CC(C)(C)OC[C@H](O)c1ccc(cc1)F 34a_100015890283_100000720402 [1,1,0,0,0,0|1,0,0]=3 1719 B15R1.892 CC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100015890283_100000720402 [1,1,0,0,0,0|1,0,0]=3 1720 B15R1.892 CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_100000211941_200011996143 [1,1,0,0,0,0|1,0,0]=3 1721 B15R1.892 CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211941 [1,1,0,0,0,0|1,0,0]=3 1722 B15R1.892 CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000211941_100000720402 [1,1,0,0,0,0|1,0,0]=3 1723 B15R1.892 CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211941 [1,1,0,0,0,0|1,0,0]=3 1724 B15R1.892 CC(CNC(C)(C)C)c1ccc(cc1)O 34a_200015188644_100000210625 [1,1,0,0,0,0|1,0,0]=3 1725 B15R1.892 Cc1ccc(cc1)C(=O)CNC(C)(C)C 2230a_100000715429_100000211441 [1,1,0,0,0,0|0,0,2]=4 1726 B15R1.892 Cc1ccc(cc1)C(O)CNC(C)(C)C 34a_200020610344_100000210625 [1,1,0,0,0,0|0,0,0]=2 1727 B15R1.892 Cc1ccc(cc1)[C@@H](N)COC(C)(C)C 34a_100009818840_100000210625 [1,1,0,0,0,0|2,0,0]=4 1728 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 11a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1729 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 1626a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1730 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 240690a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1731 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 527a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1732 B15R1.3977 CC(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000715429_100000684486 [1,1,0,0,0,0|0,0,1]=3 1733 B15R1.3977 CC(NC(C)(C)C)C(=O)c1ccccc1 2230a_100000715429_100000239700 [1,1,0,0,0,0|0,0,2]=4 1734 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 11a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1735 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 1626a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1736 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 240690a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1737 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 527a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1738 B15R1.3977 C[C@H](OC(C)(C)C)[C@@H](N)c1ccccc1 34a_100134616770_100000210625 [1,1,0,0,0,0|2,0,0]=4 1739 B15R1.5334 CC(C)(C)CN[C@H](CO)c1ccccc1 270004a_100000751927_100011204126 [1,1,0,0,0,0|2,0,0]=4 1740 B15R1.5334 CC(C)(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100011219605 [1,1,0,0,0,0|2,0,0]=4 1741 B15R1.5334 CC(C)(C)NN=C(CO)c1ccccc1 4a_100000725372_100000748912 [1,1,0,0,0,0|1,0,1]=4 1742 B15R1.5334 CC(C)(O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000764493 [1,1,0,0,0,0|2,0,0]=4 1743 B15R1.5334 CCC(COC(C)(C)C)c1ccccc1 34a_100000752371_100000210625 [1,1,0,0,0,0|2,0,0]=4 1744 B15R1.5334 COC(COC(C)(C)C)c1ccccc1 34a_100011215540_100000210625 [1,1,0,0,0,0|1,0,0]=3 1745 B15R1.5392 CC(C)(C)C(=O)CC(O)c1ccccc1 1458a_106744555173_100000185958 [1,1,0,0,0,0|1,0,0]=3 1746 B15R1.5392 CC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_106744555173_100011933945 [1,1,0,0,0,0|1,0,0]=3 1747 B15R1.5392 CC(C)(F)C(=O)CC(O)c1ccccc1 1458a_100000765255_100000185958 [1,1,0,0,0,0|2,0,0]=4 1748 B15R1.5392 CC(C)(F)C(=O)C[C@@H](O)c1ccccc1 1458a_100000765255_100011933945 [1,1,0,0,0,0|2,0,0]=4 1749 B15R1.5392 CC(C)(O)C(=O)CC(O)c1ccccc1 1458a_100000242741_100000185958 [1,1,0,0,0,0|1,0,0]=3 1750 B15R1.5392 CC(C)(O)C(=O)C[C@@H](O)c1ccccc1 1458a_100000242741_100011933945 [1,1,0,0,0,0|1,0,0]=3 1751 B15R1.5392 CC(CC(=O)C(C)(C)C)c1ccccc1 1458a_106744555173_100000756946 [1,1,0,0,0,0|2,0,0]=4 1752 B15R1.5392 CC(CC(=O)C(C)(C)O)c1ccccc1 1458a_100000242741_100000756946 [1,1,0,0,0,0|2,0,0]=4 1753 B15R1.5392 CC(CN(C)C(C)(C)C)c1ccccc1 269982a_100011215553_100000756946 [1,1,0,0,0,0|1,0,0]=3 1754 B15R1.5392 CC(CN(C)C(C)(C)C)c1ccccc1 270004a_100011215553_100000212034 [1,1,0,0,0,0|1,0,0]=3 1755 B15R1.5392 CN(CC(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100000211460 [1,1,0,0,0,0|0,0,2]=4 1756 B15R1.5392 CN(CC(O)c1ccccc1)C(C)(C)C 269982a_100000227976_100000210625 [1,1,0,0,0,0|0,0,0]=2 1757 B15R1.5392 CN(CS(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100000031784 [1,1,0,0,0,0|1,0,1]=4 1758 B15R1.8018 CC(C)(C)NCC(O)c1ccccc1Cl 34a_200000759403_100000210625 [1,1,0,0,0,0|0,0,0]=2 1759 B15R1.8018 CC(C)(C)OCC(N)c1ccccc1Cl 34a_100138412506_100000210625 [1,1,0,0,0,0|2,0,0]=4 1760 B15R1.8018 CC(C)(C)OC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210625 [1,1,0,0,0,0|2,0,0]=4 1761 B15R1.8018 CC(C)(C)OC[C@H](N)c1ccccc1F 34a_100009818778_100000210625 [1,1,0,0,0,0|2,0,0]=4 1762 B15R1.8018 Cc1ccccc1C(=O)CNC(C)(C)C 2230a_100000715429_100000741374 [1,1,0,0,0,0|0,0,2]=4 1763 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(c1)Br 2230a_100000715429_100000212080 [1,1,0,0,0,0|0,0,2]=4 1764 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(c1)Cl 2230a_100000715429_100000211444 [1,1,0,0,0,0|0,0,2]=4 1765 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(c1)F 2230a_100000715429_100000215616 [1,1,0,0,0,0|0,0,2]=4 1766 B15R1.8277 CC(C)(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210625 [1,1,0,0,0,0|0,0,0]=2 1767 B15R1.8277 CC(C)(C)OCC(N)c1cccc(c1)Br 34a_100000690078_100000210625 [1,1,0,0,0,0|2,0,0]=4 1768 B15R1.8277 CC(C)(C)OC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210625 [1,1,0,0,0,0|2,0,0]=4 1769 B15R1.8277 CC(C)(C)OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210625 [1,1,0,0,0,0|2,0,0]=4 1770 B15R1.8277 Cc1cccc(c1)C(=O)CNC(C)(C)C 2230a_100000715429_100000739480 [1,1,0,0,0,0|0,0,2]=4 1771 B15R1.8277 Cc1cccc(c1)[C@H](N)COC(C)(C)C 34a_100009818812_100000210625 [1,1,0,0,0,0|2,0,0]=4 1772 B15R1.23261 CC(C)(C)NCC(F)(F)c1ccccc1 34a_100000717977_100000210625 [1,1,0,0,0,0|1,0,0]=3 1773 B15R1.23261 CC(C)(C)NC[Si](C)(C)c1ccccc1 2230a_100000715429_100000038972 [1,1,0,0,0,0|1,1,0]=4 1774 B15R1.23261 CC(C)(C)OCC(F)(F)c1ccccc1 34a_100015890283_100009875531 [1,1,0,0,0,0|2,0,0]=4 1775 B15R1.23261 CC(C)(C)SCC(C)(C)c1ccccc1 62a_100000211941_100000703224 [1,1,0,0,0,0|2,0,0]=4 1776 B15R1.23261 CC(C)(C)SCC(C)(C)c1ccccc1 62a_100000703224_100000211941 [1,1,0,0,0,0|2,0,0]=4 1777 B15R1.23261 CC(C)(C)SCC(F)(F)c1ccccc1 62a_100000211941_100009875531 [1,1,0,0,0,0|2,0,0]=4 1778 B15R1.23261 CC(C)(C)SCC(F)(F)c1ccccc1 62a_100009875531_100000211941 [1,1,0,0,0,0|2,0,0]=4 1779 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)Br 240690a_100000210608_100000185839 [0,1,0,0,1,0|0,0,2]=4 1780 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)Br 527a_100020618417_100000185839 [0,1,0,0,1,0|0,0,2]=4 1781 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)Cl 240690a_100000210608_100000210187 [0,1,0,0,1,0|0,0,2]=4 1782 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)Cl 527a_100020618417_100000210187 [0,1,0,0,1,0|0,0,2]=4 1783 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)F 240690a_100000210608_100000187176 [0,1,0,0,1,0|0,0,2]=4 1784 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)F 527a_100020618417_100000187176 [0,1,0,0,1,0|0,0,2]=4 1785 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)I 240690a_100000210608_100000187904 [0,1,0,0,1,0|0,0,2]=4 1786 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)I 527a_100020618417_100000187904 [0,1,0,0,1,0|0,0,2]=4 1787 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)O 240690a_100000210608_100000212099 [0,1,0,0,1,0|0,0,2]=4 1788 B15R1.299 CC(C)(CO)NC(=O)c1ccc(cc1)O 527a_100020618417_100000212099 [0,1,0,0,1,0|0,0,2]=4 1789 B15R1.299 CC(NC(C)(C)CO)c1ccc(cc1)Br 2230a_100000210608_100000755118 [0,1,0,0,1,0|1,0,0]=3 1790 B15R1.299 CC(NC(C)(C)CO)c1ccc(cc1)Cl 2230a_100000210608_100000684792 [0,1,0,0,1,0|1,0,0]=3 1791 B15R1.299 CC(NC(C)(C)CO)c1ccc(cc1)F 2230a_100000210608_100000743420 [0,1,0,0,1,0|1,0,0]=3 1792 B15R1.299 CC(NC(C)(C)CO)c1ccc(cn1)Br 270004a_100000210608_100000686046 [0,1,0,0,1,0|2,0,0]=4 1793 B15R1.299 CC(NC(C)(C)CO)c1ccc(cn1)Cl 270004a_100000210608_100000692432 [0,1,0,0,1,0|2,0,0]=4 1794 B15R1.299 CC(NC(C)(C)CO)c1ccc(cn1)F 270004a_100000210608_100102946652 [0,1,0,0,1,0|2,0,0]=4 1795 B15R1.299 CCC(C)(C)NC(C)c1ccc(cc1)Br 2230a_100000211385_100000755118 [0,1,0,0,1,0|2,0,0]=4 1796 B15R1.299 CCC(C)(C)NC(C)c1ccc(cc1)C 2230a_100000211385_100011261388 [0,1,0,0,1,0|2,0,0]=4 1797 B15R1.299 CCC(C)(C)NC(C)c1ccc(cc1)Cl 2230a_100000211385_100000684792 [0,1,0,0,1,0|2,0,0]=4 1798 B15R1.299 CCC(C)(C)NC(C)c1ccc(cc1)F 2230a_100000211385_100000743420 [0,1,0,0,1,0|2,0,0]=4 1799 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)Br 34a_100000219623_100009813988 [0,1,0,0,1,0|2,0,0]=4 1800 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)Cl 34a_100020629279_100009813988 [0,1,0,0,1,0|2,0,0]=4 1801 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)F 34a_100000219829_100009813988 [0,1,0,0,1,0|2,0,0]=4 1802 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)I 34a_100000743151_100009813988 [0,1,0,0,1,0|2,0,0]=4 1803 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)O 34a_100000182112_100009813988 [0,1,0,0,1,0|2,0,0]=4 1804 B15R1.299 Cc1ccc(cc1)C(=O)NC(C)(C)CO 240690a_100000210608_100000188618 [0,1,0,0,1,0|0,0,2]=4 1805 B15R1.299 Cc1ccc(cc1)C(=O)NC(C)(C)CO 527a_100020618417_100000188618 [0,1,0,0,1,0|0,0,2]=4 1806 B15R1.299 Cc1ccc(cc1)C(C)NC(C)(C)CO 2230a_100000210608_100011261388 [0,1,0,0,1,0|1,0,0]=3 1807 B15R1.299 Cc1ccc(cc1)N(C)CC(C)(C)CO 34a_100000219977_100009813988 [0,1,0,0,1,0|2,0,0]=4 1808 B15R1.299 Cc1ccc(nc1)C(C)NC(C)(C)CO 270004a_100000210608_100000084104 [0,1,0,0,1,0|2,0,0]=4 1809 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)Br 240690a_100000210608_100000210664 [0,1,0,0,1,0|0,0,2]=4 1810 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)Br 527a_100020618417_100000210664 [0,1,0,0,1,0|0,0,2]=4 1811 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)Cl 240690a_100000210608_100000210390 [0,1,0,0,1,0|0,0,2]=4 1812 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)Cl 527a_100020618417_100000210390 [0,1,0,0,1,0|0,0,2]=4 1813 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)F 240690a_100000210608_100000210950 [0,1,0,0,1,0|0,0,2]=4 1814 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)F 527a_100020618417_100000210950 [0,1,0,0,1,0|0,0,2]=4 1815 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)I 240690a_100000210608_100000184098 [0,1,0,0,1,0|0,0,2]=4 1816 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)I 527a_100020618417_100000184098 [0,1,0,0,1,0|0,0,2]=4 1817 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)O 240690a_100000210608_100000183914 [0,1,0,0,1,0|0,0,2]=4 1818 B15R1.300 CC(C)(CO)NC(=O)c1cccc(c1)O 527a_100020618417_100000183914 [0,1,0,0,1,0|0,0,2]=4 1819 B15R1.300 CC(NC(C)(C)CO)c1cc(ccn1)Br 270004a_100000210608_100000709912 [0,1,0,0,1,0|2,0,0]=4 1820 B15R1.300 CC(NC(C)(C)CO)c1cc(ccn1)Cl 270004a_100000210608_100000099826 [0,1,0,0,1,0|2,0,0]=4 1821 B15R1.300 CN(CC(C)(C)CO)c1cccc(c1)Br 34a_100000219648_100009813988 [0,1,0,0,1,0|2,0,0]=4 1822 B15R1.300 CN(CC(C)(C)CO)c1cccc(c1)Cl 34a_100000220044_100009813988 [0,1,0,0,1,0|2,0,0]=4 1823 B15R1.300 CN(CC(C)(C)CO)c1cccc(c1)F 34a_100020633736_100009813988 [0,1,0,0,1,0|2,0,0]=4 1824 B15R1.300 CN(CC(C)(C)CO)c1cccc(c1)I 34a_100000221217_100009813988 [0,1,0,0,1,0|2,0,0]=4 1825 B15R1.300 CN(CC(C)(C)CO)c1cccc(c1)O 34a_100000756613_100009813988 [0,1,0,0,1,0|2,0,0]=4 1826 B15R1.300 Cc1cccc(c1)C(=O)NC(C)(C)CO 240690a_100000210608_100000189346 [0,1,0,0,1,0|0,0,2]=4 1827 B15R1.300 Cc1cccc(c1)C(=O)NC(C)(C)CO 527a_100020618417_100000189346 [0,1,0,0,1,0|0,0,2]=4 1828 B15R1.300 Cc1cccc(c1)N(C)CC(C)(C)CO 34a_100000219674_100009813988 [0,1,0,0,1,0|2,0,0]=4 1829 B15R1.300 Cc1ccnc(c1)C(C)NC(C)(C)CO 270004a_100000210608_100000728896 [0,1,0,0,1,0|2,0,0]=4 1830 B15R1.337 CC(C)(CO)NC(C)(C)c1ccccc1 2230a_100000210608_100000034625 [0,1,0,0,1,0|1,0,0]=3 1831 B15R1.337 CC(C)(CO)NS(=O)(=O)c1ccccc1 270084a_100020618417_100000210345 [0,1,0,0,1,0|1,0,1]=4 1832 B15R1.337 CC(C)(CO)NS(=O)(=O)c1ccccc1 274078a_100000210608_100000210345 [0,1,0,0,1,0|1,0,1]=4 1833 B15R1.337 CC(C)(CO)NS(=O)(=O)c1ccccc1 40a_100000210608_100000032697 [0,1,0,0,1,0|1,0,1]=4 1834 B15R1.337 CCC(C)(C)NC(C)(C)c1ccccc1 2230a_100000211385_100000034625 [0,1,0,0,1,0|2,0,0]=4 1835 B15R1.2992 CC(CO)(CO)NC(=O)c1ccccc1 240690a_100000764395_100000185807 [0,1,0,0,1,0|0,0,2]=4 1836 B15R1.2992 CC(CO)(CO)NC(=O)c1ccccc1 527a_100000764395_100000185807 [0,1,0,0,1,0|0,0,2]=4 1837 B15R1.2992 CCC(C)(CO)NC(=O)c1ccccc1 240690a_100000747662_100000185807 [0,1,0,0,1,0|0,0,2]=4 1838 B15R1.2992 CCC(C)(CO)NC(=O)c1ccccc1 527a_100000747662_100000185807 [0,1,0,0,1,0|0,0,2]=4 1839 B15R1.3001 CC(C(=O)C(C)(C)CO)c1ccccc1 1458a_100000749806_100000230085 [0,1,0,0,1,0|1,0,1]=4 1840 B15R1.3001 CC(c1ccccc1)N(C)C(C)(C)CO 269982a_100015204102_100000230085 [0,1,0,0,1,0|1,0,0]=3 1841 B15R1.3001 CCC(C)(C)N(C)C(C)c1ccccc1 2230a_200000755171_100000230085 [0,1,0,0,1,0|2,0,0]=4 1842 B15R1.3001 CCC(C)(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000032637 [0,1,0,0,1,0|2,0,0]=4 1843 B15R1.3001 CCC(C)(C)N(C)C(C)c1ccccc1 269982a_200000755171_100000230085 [0,1,0,0,1,0|2,0,0]=4 1844 B15R1.3001 CN(C(=O)c1ccccc1)C(C)(C)CO 240690a_100015204102_100000185807 [0,1,0,0,1,0|0,0,2]=4 1845 B15R1.3001 CN(C(=O)c1ccccc1)C(C)(C)CO 527a_100015204102_100000185807 [0,1,0,0,1,0|0,0,2]=4 1846 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Br 240690a_100000210608_100000188424 [0,1,0,0,1,0|0,0,2]=4 1847 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Br 527a_100020618417_100000188424 [0,1,0,0,1,0|0,0,2]=4 1848 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Cl 240690a_100000210608_100000185844 [0,1,0,0,1,0|0,0,2]=4 1849 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Cl 527a_100020618417_100000185844 [0,1,0,0,1,0|0,0,2]=4 1850 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1F 240690a_100000210608_100000188656 [0,1,0,0,1,0|0,0,2]=4 1851 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1F 527a_100020618417_100000188656 [0,1,0,0,1,0|0,0,2]=4 1852 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1I 240690a_100000210608_100000187884 [0,1,0,0,1,0|0,0,2]=4 1853 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1I 527a_100020618417_100000187884 [0,1,0,0,1,0|0,0,2]=4 1854 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1O 240690a_100000210608_100015234032 [0,1,0,0,1,0|0,0,2]=4 1855 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1[O-] 240690a_100000210608_100009911694 [0,1,0,0,1,0|0,0,2]=4 1856 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1[O-] 527a_100020618417_100009911694 [0,1,0,0,1,0|0,0,2]=4 1857 B15R1.7724 CC(NC(C)(C)CO)c1ccccc1Cl 2230a_100000210608_100000181259 [0,1,0,0,1,0|1,0,0]=3 1858 B15R1.7724 CC(NC(C)(C)CO)c1ccccc1F 2230a_100000210608_200000741388 [0,1,0,0,1,0|1,0,0]=3 1859 B15R1.7724 CCC(C)(C)NC(C)c1ccccc1Cl 2230a_100000211385_100000181259 [0,1,0,0,1,0|2,0,0]=4 1860 B15R1.7724 CCC(C)(C)NC(C)c1ccccc1F 2230a_100000211385_200000741388 [0,1,0,0,1,0|2,0,0]=4 1861 B15R1.7724 CN(CC(C)(C)CO)c1ccccc1Br 34a_100020606079_100009813988 [0,1,0,0,1,0|2,0,0]=4 1862 B15R1.7724 CN(CC(C)(C)CO)c1ccccc1Cl 34a_100000219374_100009813988 [0,1,0,0,1,0|2,0,0]=4 1863 B15R1.7724 CN(CC(C)(C)CO)c1ccccc1F 34a_100000220357_100009813988 [0,1,0,0,1,0|2,0,0]=4 1864 B15R1.7724 Cc1ccccc1C(=O)NC(C)(C)CO 240690a_100000210608_100000212026 [0,1,0,0,1,0|0,0,2]=4 1865 B15R1.7724 Cc1ccccc1C(=O)NC(C)(C)CO 527a_100020618417_100000212026 [0,1,0,0,1,0|0,0,2]=4 1866 B15R1.7724 Cc1ccccc1N(C)CC(C)(C)CO 34a_100000219699_100009813988 [0,1,0,0,1,0|2,0,0]=4 1867 B15R1.9011 CC(NC(C)(C)C(C)C)c1ccccc1 2230a_200160471154_100000230085 [0,1,0,0,1,0|2,0,0]=4 1868 B15R1.9724 CC(C)(CCO)NC(=O)c1ccccc1 240690a_100000763138_100000185807 [0,1,0,0,1,0|0,0,2]=4 1869 B15R1.9724 CC(C)(CCO)NC(=O)c1ccccc1 527a_100000763138_100000185807 [0,1,0,0,1,0|0,0,2]=4 1870 B15R1.9724 CC(C)(CO[13CH3])NC(=O)c1ccccc1 34a_200000183113_200025704644 [0,1,0,0,1,0|0,0,2]=4 1871 B15R1.9724 CC(C)(CO[13CH3])NC(=O)c1ccccc1 7a_200000183113_200025704644 [0,1,0,0,1,0|0,0,2]=4 1872 B15R1.9724 COCC(C)(C)NC(=O)c1ccccc1 11a_100000752728_100000185807 [0,1,0,0,1,0|0,0,2]=4 1873 B15R1.9724 COCC(C)(C)NC(=O)c1ccccc1 1626a_100000752728_100000185807 [0,1,0,0,1,0|0,0,2]=4 1874 B15R1.9724 COCC(C)(C)NC(=O)c1ccccc1 240690a_100000752728_100000185807 [0,1,0,0,1,0|0,0,2]=4 1875 B15R1.9724 COCC(C)(C)NC(=O)c1ccccc1 34a_200000183113_200000210301 [0,1,0,0,1,0|0,0,2]=4 1876 B15R1.9724 COCC(C)(C)NC(=O)c1ccccc1 527a_100000752728_100000185807 [0,1,0,0,1,0|0,0,2]=4 1877 B15R1.9724 COCC(C)(C)NC(=O)c1ccccc1 7a_200000183113_200000210301 [0,1,0,0,1,0|0,0,2]=4 1878 B15R1.9724 COCC(C)(C)NC(C)c1ccccc1 2230a_100000752728_100000230085 [0,1,0,0,1,0|1,0,0]=3 1879 B15R1.9724 CSCC(C)(C)NC(C)c1ccccc1 2230a_100000759623_100000230085 [0,1,0,0,1,0|1,1,0]=4 1880 B15R1.9724 CSCC(C)(C)NC(C)c1ccccc1 7a_100000759623_100000230085 [0,1,0,0,1,0|1,1,0]=4 1881 B15R1.10044 C#CC(C)(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000038118 [0,1,0,0,1,0|1,0,1]=4 1882 B15R1.10044 C=CC(NC(C)(C)CC)c1ccccc1 2230a_100000211385_200000085779 [0,1,0,0,1,0|2,0,0]=4 1883 B15R1.10044 C=CC(NC(C)(C)CO)c1ccccc1 2230a_100000210608_200000085779 [0,1,0,0,1,0|1,0,0]=3 1884 B15R1.10044 CC(C)(C#N)N[C@H](CO)c1ccccc1 34a_100000751927_100011162410 [0,1,0,0,1,0|1,0,1]=4 1885 B15R1.10044 CCN(CC(C)(C)CO)c1ccccc1 34a_100000210013_100009813988 [0,1,0,0,1,0|2,0,0]=4 1886 B17R1.373 CC(C)(CO)CNCC(F)(F)c1ccccc1 34a_100000717977_100009813988 [0,1,0,0,0,1|1,0,0]=3 1887 B17R1.373 CC(C)(CO)CNC[Si](C)(C)c1ccccc1 2230a_100020635058_100000038972 [0,1,0,0,0,1|1,1,0]=4 1888 B17R1.373 CC(C)(CO)COCC(C)(C)c1ccccc1 7a_100000747608_100009813988 [0,1,0,0,0,1|2,0,0]=4 1889 B17R1.373 CC(C)(CO)CSCC(C)(C)c1ccccc1 62a_100000703224_100009813988 [0,1,0,0,0,1|2,0,0]=4 1890 B17R1.373 CC(C)(CO)CSCC(C)(C)c1ccccc1 62a_100009813988_100000703224 [0,1,0,0,0,1|2,0,0]=4 1891 B17R1.373 CC(C)(CO)CSCC(F)(F)c1ccccc1 62a_100009813988_100009875531 [0,1,0,0,0,1|2,0,0]=4 1892 B17R1.373 CC(C)(CO)CSCC(F)(F)c1ccccc1 62a_100009875531_100009813988 [0,1,0,0,0,1|2,0,0]=4 1893 B17R1.373 CC(C)(CO)NCCS(=O)(=O)c1ccccc1 2230a_100000210608_100000229977 [0,1,0,0,0,1|1,0,1]=4 1894 B17R1.373 CSC(C)(C)CNCC(C)(O)c1ccccc1 270004a_100011660926_100009845794 [0,1,0,0,0,1|2,0,0]=4 1895 B17R1.404 CC(C)(CCl)COCC(O)c1ccc(cc1)Cl 7a_100011217199_200011996143 [0,1,0,0,0,1|2,0,0]=4 1896 B17R1.404 CC(C)(CCl)COC[C@H](O)c1ccc(cc1)F 7a_100011217199_100000720402 [0,1,0,0,0,1|2,0,0]=4 1897 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100009813988 [0,1,0,0,0,1|0,0,0]=2 1898 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)Cl 2230a_100020635058_200011996143 [0,1,0,0,0,1|0,0,0]=2 1899 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009813988 [0,1,0,0,0,1|0,0,0]=2 1900 B17R1.404 CC(C)(CO)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009813988 [0,1,0,0,0,1|0,0,0]=2 1901 B17R1.404 CC(C)(CO)CNC[C@H](O)c1ccc(cc1)F 2230a_100020635058_100000720402 [0,1,0,0,0,1|0,0,0]=2 1902 B17R1.404 CC(C)(CO)COCC(N)c1ccc(cc1)Br 34a_100000734186_100009813988 [0,1,0,0,0,1|2,0,0]=4 1903 B17R1.404 CC(C)(CO)COCC(N)c1ccc(cc1)F 34a_100000705410_100009813988 [0,1,0,0,0,1|2,0,0]=4 1904 B17R1.404 CC(C)(CO)COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100009813988 [0,1,0,0,0,1|2,0,0]=4 1905 B17R1.404 CC(C)(CO)CSCC(O)c1ccc(cc1)Cl 62a_100009813988_200011996143 [0,1,0,0,0,1|1,0,0]=3 1906 B17R1.404 CC(C)(CO)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100009813988 [0,1,0,0,0,1|1,0,0]=3 1907 B17R1.404 CC(C)(CO)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009813988 [0,1,0,0,0,1|1,0,0]=3 1908 B17R1.404 CC(C)(CO)CSC[C@H](O)c1ccc(cc1)F 62a_100009813988_100000720402 [0,1,0,0,0,1|1,0,0]=3 1909 B17R1.404 CC(C)(CO)NCCC(=O)c1ccc(cc1)F 2230a_100000210608_100000211231 [0,1,0,0,0,1|0,0,2]=4 1910 B17R1.404 CC(C)(CO)NCCC(=O)c1ccc(cc1)O 2230a_100000210608_100009879949 [0,1,0,0,0,1|0,0,2]=4 1911 B17R1.404 CC(CNCC(C)(C)CO)c1ccc(cc1)O 34a_200015188644_100009813988 [0,1,0,0,0,1|1,0,0]=3 1912 B17R1.404 CCC(C)(C)COCC(O)c1ccc(cc1)Cl 7a_100000765029_200011996143 [0,1,0,0,0,1|2,0,0]=4 1913 B17R1.404 CCC(C)(C)COC[C@H](O)c1ccc(cc1)F 7a_100000765029_100000720402 [0,1,0,0,0,1|2,0,0]=4 1914 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000701081 [0,1,0,0,0,1|2,0,0]=4 1915 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)C 34a_200020610344_100000701081 [0,1,0,0,0,1|2,0,0]=4 1916 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000763424_200011996143 [0,1,0,0,0,1|2,0,0]=4 1917 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000701081 [0,1,0,0,0,1|2,0,0]=4 1918 B17R1.404 COC(C)(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000701081 [0,1,0,0,0,1|2,0,0]=4 1919 B17R1.404 COC(C)(C)CNC[C@H](O)c1ccc(cc1)F 2230a_100000763424_100000720402 [0,1,0,0,0,1|2,0,0]=4 1920 B17R1.404 CSC(C)(C)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100009845794 [0,1,0,0,0,1|2,0,0]=4 1921 B17R1.404 CSC(C)(C)CNCC(O)c1ccc(cc1)C 270004a_200020610344_100009845794 [0,1,0,0,0,1|2,0,0]=4 1922 B17R1.404 CSC(C)(C)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100009845794 [0,1,0,0,0,1|2,0,0]=4 1923 B17R1.404 Cc1ccc(cc1)C(=O)CCNC(C)(C)CO 2230a_100000210608_100000701375 [0,1,0,0,0,1|0,0,2]=4 1924 B17R1.404 Cc1ccc(cc1)C(=O)CNCC(C)(C)CO 2230a_100020635058_100000211441 [0,1,0,0,0,1|0,0,2]=4 1925 B17R1.404 Cc1ccc(cc1)C(O)CNCC(C)(C)CO 34a_200020610344_100009813988 [0,1,0,0,0,1|0,0,0]=2 1926 B17R1.404 Cc1ccc(cc1)[C@@H](N)COCC(C)(C)CO 34a_100009818840_100009813988 [0,1,0,0,0,1|2,0,0]=4 1927 B17R1.405 CC(C)(CO)CNCC(=O)c1cccc(c1)Br 2230a_100020635058_100000212080 [0,1,0,0,0,1|0,0,2]=4 1928 B17R1.405 CC(C)(CO)CNCC(=O)c1cccc(c1)Cl 2230a_100020635058_100000211444 [0,1,0,0,0,1|0,0,2]=4 1929 B17R1.405 CC(C)(CO)CNCC(=O)c1cccc(c1)F 2230a_100020635058_100000215616 [0,1,0,0,0,1|0,0,2]=4 1930 B17R1.405 CC(C)(CO)CNCC(O)c1cccc(c1)O 34a_100020657549_100009813988 [0,1,0,0,0,1|0,0,0]=2 1931 B17R1.405 CC(C)(CO)COCC(N)c1cccc(c1)Br 34a_100000690078_100009813988 [0,1,0,0,0,1|2,0,0]=4 1932 B17R1.405 CC(C)(CO)COC[C@@H](N)c1cccc(c1)F 34a_100020641251_100009813988 [0,1,0,0,0,1|2,0,0]=4 1933 B17R1.405 CC(C)(CO)COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100009813988 [0,1,0,0,0,1|2,0,0]=4 1934 B17R1.405 COC(C)(C)CNCC(O)c1cccc(c1)O 34a_100020657549_100000701081 [0,1,0,0,0,1|2,0,0]=4 1935 B17R1.405 CSC(C)(C)CNCC(O)c1cccc(c1)O 270004a_100020657549_100009845794 [0,1,0,0,0,1|2,0,0]=4 1936 B17R1.405 Cc1cccc(c1)C(=O)CNCC(C)(C)CO 2230a_100020635058_100000739480 [0,1,0,0,0,1|0,0,2]=4 1937 B17R1.405 Cc1cccc(c1)[C@H](N)COCC(C)(C)CO 34a_100009818812_100009813988 [0,1,0,0,0,1|2,0,0]=4 1938 B17R1.407 C#CC(C)(C)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000079900 [0,1,0,0,0,1|1,0,1]=4 1939 B17R1.407 C#CC(C)(C)C(=O)NCC(O)c1ccccc1 527a_100000210709_100000079900 [0,1,0,0,0,1|1,0,1]=4 1940 B17R1.407 C=CC(C)(C)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100012027013 [0,1,0,0,0,1|1,0,1]=4 1941 B17R1.407 C=CC(C)(C)C(=O)NCC(O)c1ccccc1 527a_100000210709_100012027013 [0,1,0,0,0,1|1,0,1]=4 1942 B17R1.407 CC(C)(C#N)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000740761 [0,1,0,0,0,1|1,0,1]=4 1943 B17R1.407 CC(C)(C#N)C(=O)NCC(O)c1ccccc1 527a_100000210709_100000740761 [0,1,0,0,0,1|1,0,1]=4 1944 B17R1.407 CC(C)(CF)C(=O)CC[C@@H](O)c1ccccc1 1458a_100000138116_100000729684 [0,1,0,0,0,1|2,0,0]=4 1945 B17R1.407 CC(C)(CF)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000138116 [0,1,0,0,0,1|1,0,0]=3 1946 B17R1.407 CC(C)(CF)C(=O)NCC(O)c1ccccc1 527a_100000210709_100000138116 [0,1,0,0,0,1|1,0,0]=3 1947 B17R1.407 CC(C)(CF)C(=O)NCC(O)c1ccccn1 240690a_100000691469_100000138116 [0,1,0,0,0,1|2,0,0]=4 1948 B17R1.407 CC(C)(CF)C(=O)NCC(O)c1ccccn1 527a_100000691469_100000138116 [0,1,0,0,0,1|2,0,0]=4 1949 B17R1.407 CC(C)(CF)C(=O)NCC(O)c1cccnc1 240690a_100020605170_100000138116 [0,1,0,0,0,1|2,0,0]=4 1950 B17R1.407 CC(C)(CF)C(=O)NCC(O)c1cccnc1 527a_100020605170_100000138116 [0,1,0,0,0,1|2,0,0]=4 1951 B17R1.407 CC(C)(CO)C(=O)CC[C@@H](O)c1ccccc1 1458a_100000749806_100000729684 [0,1,0,0,0,1|1,0,0]=3 1952 B17R1.407 CC(C)(CO)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000749806 [0,1,0,0,0,1|0,0,0]=2 1953 B17R1.407 CC(C)(CO)C(=O)NCC(O)c1ccccc1 527a_100000210709_100000749806 [0,1,0,0,0,1|0,0,0]=2 1954 B17R1.407 CC(C)(CO)C(=O)NCC(O)c1ccccn1 240690a_100000691469_100000749806 [0,1,0,0,0,1|1,0,0]=3 1955 B17R1.407 CC(C)(CO)C(=O)NCC(O)c1ccccn1 527a_100000691469_100000749806 [0,1,0,0,0,1|1,0,0]=3 1956 B17R1.407 CC(C)(CO)C(=O)NCC(O)c1cccnc1 240690a_100020605170_100000749806 [0,1,0,0,0,1|1,0,0]=3 1957 B17R1.407 CC(C)(CO)C(=O)NCC(O)c1cccnc1 527a_100020605170_100000749806 [0,1,0,0,0,1|1,0,0]=3 1958 B17R1.407 CC(CNC(=O)C(C)(C)CF)c1ccccc1 11a_100000701038_100000138116 [0,1,0,0,0,1|2,0,0]=4 1959 B17R1.407 CC(CNC(=O)C(C)(C)CF)c1ccccc1 1626a_100000701038_100000138116 [0,1,0,0,0,1|2,0,0]=4 1960 B17R1.407 CC(CNC(=O)C(C)(C)CF)c1ccccc1 240690a_100000701038_100000138116 [0,1,0,0,0,1|2,0,0]=4 1961 B17R1.407 CC(CNC(=O)C(C)(C)CF)c1ccccc1 527a_100000701038_100000138116 [0,1,0,0,0,1|2,0,0]=4 1962 B17R1.407 CC(CNC(=O)C(C)(C)CO)c1ccccc1 1626a_100000701038_100000749806 [0,1,0,0,0,1|1,0,0]=3 1963 B17R1.407 CC(CNC(=O)C(C)(C)CO)c1ccccc1 240690a_100000701038_100000749806 [0,1,0,0,0,1|1,0,0]=3 1964 B17R1.407 CC(CNC(=O)C(C)(C)CO)c1ccccc1 527a_100000701038_100000749806 [0,1,0,0,0,1|1,0,0]=3 1965 B17R1.407 CCC(C)(C)C(=O)CC[C@@H](O)c1ccccc1 1458a_100000749717_100000729684 [0,1,0,0,0,1|2,0,0]=4 1966 B17R1.407 CCC(C)(C)C(=O)NCC(C)c1ccccc1 11a_100000701038_100000749717 [0,1,0,0,0,1|2,0,0]=4 1967 B17R1.407 CCC(C)(C)C(=O)NCC(C)c1ccccc1 1626a_100000701038_100000749717 [0,1,0,0,0,1|2,0,0]=4 1968 B17R1.407 CCC(C)(C)C(=O)NCC(C)c1ccccc1 240690a_100000701038_100000749717 [0,1,0,0,0,1|2,0,0]=4 1969 B17R1.407 CCC(C)(C)C(=O)NCC(C)c1ccccc1 527a_100000701038_100000749717 [0,1,0,0,0,1|2,0,0]=4 1970 B17R1.407 CCC(C)(C)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000749717 [0,1,0,0,0,1|1,0,0]=3 1971 B17R1.407 CCC(C)(C)C(=O)NCC(O)c1ccccc1 527a_100000210709_100000749717 [0,1,0,0,0,1|1,0,0]=3 1972 B17R1.407 CCC(C)(C)C(=O)NCC(O)c1ccccn1 240690a_100000691469_100000749717 [0,1,0,0,0,1|2,0,0]=4 1973 B17R1.407 CCC(C)(C)C(=O)NCC(O)c1ccccn1 527a_100000691469_100000749717 [0,1,0,0,0,1|2,0,0]=4 1974 B17R1.407 CCC(C)(C)C(=O)NCC(O)c1cccnc1 240690a_100020605170_100000749717 [0,1,0,0,0,1|2,0,0]=4 1975 B17R1.407 CCC(C)(C)C(=O)NCC(O)c1cccnc1 527a_100020605170_100000749717 [0,1,0,0,0,1|2,0,0]=4 1976 B17R1.407 CCC(C)(C)N(C)CCC(C)c1ccccc1 270004a_200000755171_100000189432 [0,1,0,0,0,1|2,0,0]=4 1977 B17R1.407 CCC(C)(C)N(C)CCC(O)c1ccccc1 269982a_100011218556_100000032637 [0,1,0,0,0,1|1,0,0]=3 1978 B17R1.407 CCC(C)(C)N(C)CC[C@@H](O)c1ccccc1 2230a_200000755171_100000729684 [0,1,0,0,0,1|1,0,0]=3 1979 B17R1.407 CCC(C)(C)N(C)CC[C@@H](O)c1ccccc1 269982a_200000755171_100000729684 [0,1,0,0,0,1|1,0,0]=3 1980 B17R1.407 CCC(C)(O)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100011219770 [0,1,0,0,0,1|2,0,0]=4 1981 B17R1.407 CN(CCC(=O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000750707 [0,1,0,0,0,1|0,0,2]=4 1982 B17R1.407 CN(CCC(O)c1ccccc1)C(C)(C)C#N 269982a_100011218556_100011162410 [0,1,0,0,0,1|1,0,1]=4 1983 B17R1.407 CN(CCS(=O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000740319 [0,1,0,0,0,1|1,0,1]=4 1984 B17R1.407 CN(CC[C@@H](O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000729684 [0,1,0,0,0,1|0,0,0]=2 1985 B17R1.407 CN(COC(=O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000073877 [0,1,0,0,0,1|0,0,2]=4 1986 B17R1.407 COC(C)(C)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100000753492 [0,1,0,0,0,1|2,0,0]=4 1987 B17R1.407 COC(C)(C)C(=O)NCC(O)c1ccccc1 527a_100000210709_100000753492 [0,1,0,0,0,1|2,0,0]=4 1988 B17R1.2510 CCC(CNCC(C)(C)CO)c1ccccc1 270004a_100020635058_100000753018 [0,1,0,0,0,1|1,0,0]=3 1989 B17R1.2510 CCC(COCC(C)(C)CO)c1ccccc1 34a_100000752371_100009813988 [0,1,0,0,0,1|2,0,0]=4 1990 B17R1.2510 CCC(COCC(C)(C)CO)c1ccccc1 7a_100000752371_100009813988 [0,1,0,0,0,1|2,0,0]=4 1991 B17R1.2510 COC(COCC(C)(C)CO)c1ccccc1 34a_100011215540_100009813988 [0,1,0,0,0,1|1,0,0]=3 1992 B17R1.2510 COC(COCC(C)(C)CO)c1ccccc1 7a_100011215540_100009813988 [0,1,0,0,0,1|1,0,0]=3 1993 B17R1.2749 C#CC(C)(CC)NCC[C@@H](O)c1ccccc1 2230a_100000054623_100000729684 [0,1,0,0,0,1|1,0,1]=4 1994 B17R1.2749 CCC(C)(CC)OCC[C@@H](O)c1ccccc1 7a_100000755174_100000729684 [0,1,0,0,0,1|2,0,0]=4 1995 B17R1.2749 CCC(C)(CC)SCC[C@@H](O)c1ccccc1 62a_100000729684_100009817345 [0,1,0,0,0,1|2,0,0]=4 1996 B17R1.2749 CCC(C)(CC)SCC[C@@H](O)c1ccccc1 62a_100009817345_100000729684 [0,1,0,0,0,1|2,0,0]=4 1997 B17R1.2749 COC(C)(CNCC(O)c1ccccc1)OC 2230a_100000210709_100000064154 [0,1,0,0,0,1|2,0,0]=4 1998 B17R1.2749 COC(C)(CNCC(O)c1ccccc1)OC 2230a_100000732740_100000185958 [0,1,0,0,0,1|2,0,0]=4 1999 B17R1.2749 COC(C)(CNC[C@@H](O)c1ccccc1)OC 2230a_100000732740_100011933945 [0,1,0,0,0,1|2,0,0]=4 2000 B17R1.4241 C=CCC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100011995686_100000729684 [0,1,0,0,0,1|2,0,0]=4 2001 B17R1.4241 C=CC[Si](C)(C)CNCC(O)c1ccccc1 2230a_100000210709_100000046978 [0,1,0,0,0,1|1,1,0]=4 2002 B17R1.4241 CC(C)(CCBr)OCC[C@@H](O)c1ccccc1 7a_100000702414_100000729684 [0,1,0,0,0,1|2,0,0]=4 2003 B17R1.4241 CC(CCNC(C)(C)CCO)c1ccccc1 270004a_100000763138_100000189432 [0,1,0,0,0,1|1,0,0]=3 2004 B17R1.4241 CCCC(C)(C)COCC(O)c1ccccc1 7a_100011995695_100000185958 [0,1,0,0,0,1|2,0,0]=4 2005 B17R1.4241 CCCC(C)(C)COC[C@@H](O)c1ccccc1 7a_100011995695_100011933945 [0,1,0,0,0,1|2,0,0]=4 2006 B17R1.4241 CCCC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100000748436_100000729684 [0,1,0,0,0,1|2,0,0]=4 2007 B17R1.4241 CCNC(C)(C)COCC(O)c1ccccc1 7a_100000747347_100000185958 [0,1,0,0,0,1|2,0,0]=4 2008 B17R1.4241 CCNC(C)(C)COC[C@@H](O)c1ccccc1 7a_100000747347_100011933945 [0,1,0,0,0,1|2,0,0]=4 2009 B17R1.4241 COCC(C)(C)CNCC(C)c1ccccc1 2230a_100000734190_100000756946 [0,1,0,0,0,1|1,0,0]=3 2010 B17R1.4241 COCC(C)(C)CNCC(C)c1ccccc1 270004a_100000734190_100000212034 [0,1,0,0,0,1|1,0,0]=3 2011 B17R1.4241 COCC(C)(C)CNCC(O)c1ccccc1 2230a_100000734190_100000185958 [0,1,0,0,0,1|0,0,0]=2 2012 B17R1.4241 COCC(C)(C)CNC[C@@H](O)c1ccccc1 2230a_100000734190_100011933945 [0,1,0,0,0,1|0,0,0]=2 2013 B17R1.4241 COCC(C)(C)NCCC(=O)c1ccccc1 2230a_100000752728_100000750707 [0,1,0,0,0,1|0,0,2]=4 2014 B17R1.4241 COCC(C)(C)NCCC(C)c1ccccc1 270004a_100000752728_100000189432 [0,1,0,0,0,1|1,0,0]=3 2015 B17R1.4241 COCC(C)(C)NCCS(=O)c1ccccc1 2230a_100000752728_100000740319 [0,1,0,0,0,1|1,0,1]=4 2016 B17R1.4241 COCC(C)(C)NCC[C@@H](O)c1ccccc1 2230a_100000752728_100000729684 [0,1,0,0,0,1|0,0,0]=2 2017 B17R1.4241 CSCC(C)(C)NCCC(C)c1ccccc1 270004a_100000759623_100000189432 [0,1,0,0,0,1|1,1,0]=4 2018 B17R1.4241 CSCC(C)(C)NCC[C@@H](O)c1ccccc1 2230a_100000759623_100000729684 [0,1,0,0,0,1|0,1,0]=3 2019 B17R1.4241 CSCC(C)(C)NCC[C@@H](O)c1ccccc1 7a_100000759623_100000729684 [0,1,0,0,0,1|0,1,0]=3 2020 B17R1.4241 C[N+](C)(CCO)CSCC(O)c1ccccc1 62a_100000185958_200010270792 [0,1,0,0,0,1|2,0,0]=4 2021 B17R1.4241 C[N+](C)(CCO)CSCC(O)c1ccccc1 62a_200010270792_100000185958 [0,1,0,0,0,1|2,0,0]=4 2022 B17R1.4241 C[N+](C)(CCO)CSC[C@@H](O)c1ccccc1 62a_100011933945_200010270792 [0,1,0,0,0,1|2,0,0]=4 2023 B17R1.4241 C[N+](C)(CCO)CSC[C@@H](O)c1ccccc1 62a_200010270792_100011933945 [0,1,0,0,0,1|2,0,0]=4 2024 B17R1.13064 C#CC(C)(C)NC(=O)CC(O)c1ccccc1 240690a_100000054563_100000690199 [0,1,0,0,0,1|1,0,1]=4 2025 B17R1.13064 CC(C)(CO)NC(=O)CC(O)c1ccccc1 240690a_100000210608_100000690199 [0,1,0,0,0,1|0,0,0]=2 2026 B17R1.13064 CC(CC(=O)NC(C)(C)CO)c1ccccc1 240690a_100000210608_100000183687 [0,1,0,0,0,1|1,0,0]=3 2027 B17R1.13064 CC(CC(=O)NC(C)(C)CO)c1ccccc1 527a_100020618417_100000183687 [0,1,0,0,0,1|1,0,0]=3 2028 B17R1.13064 CC(CN(C)CC(C)(C)CO)c1ccccc1 2230a_100000732702_100000756946 [0,1,0,0,0,1|1,0,0]=3 2029 B17R1.13064 CC(CN(C)CC(C)(C)CO)c1ccccc1 269982a_100000732702_100000756946 [0,1,0,0,0,1|1,0,0]=3 2030 B17R1.13064 CC(CN(C)CC(C)(C)CO)c1ccccc1 270004a_100000732702_100000212034 [0,1,0,0,0,1|1,0,0]=3 2031 B17R1.13064 CCC(C)(C)CC(=O)CC(O)c1ccccc1 1458a_200000763500_100000185958 [0,1,0,0,0,1|2,0,0]=4 2032 B17R1.13064 CCC(C)(C)CC(=O)C[C@@H](O)c1ccccc1 1458a_200000763500_100011933945 [0,1,0,0,0,1|2,0,0]=4 2033 B17R1.13064 CCC(C)(C)NC(=O)CC(C)c1ccccc1 11a_100000211385_100000183687 [0,1,0,0,0,1|2,0,0]=4 2034 B17R1.13064 CCC(C)(C)NC(=O)CC(C)c1ccccc1 1626a_100000211385_100000183687 [0,1,0,0,0,1|2,0,0]=4 2035 B17R1.13064 CCC(C)(C)NC(=O)CC(C)c1ccccc1 240690a_100000211385_100000183687 [0,1,0,0,0,1|2,0,0]=4 2036 B17R1.13064 CCC(C)(C)NC(=O)CC(C)c1ccccc1 527a_100000211385_100000183687 [0,1,0,0,0,1|2,0,0]=4 2037 B17R1.13064 CCC(C)(C)NC(=O)CC(O)c1ccccc1 240690a_100000211385_100000690199 [0,1,0,0,0,1|1,0,0]=3 2038 B17R1.13064 CN(CC(=O)NC(C)(C)CO)c1ccccc1 240690a_100000210608_100000745425 [0,1,0,0,0,1|2,0,0]=4 2039 B17R1.13064 CN(CC(=O)NC(C)(C)CO)c1ccccc1 527a_100020618417_100000745425 [0,1,0,0,0,1|2,0,0]=4 2040 B17R1.13064 CN(CC(=O)c1ccccc1)CC(C)(C)CO 269982a_100000732702_100000211460 [0,1,0,0,0,1|0,0,2]=4 2041 B17R1.13064 CN(CC(O)c1ccccc1)CC(C)(C)CO 2230a_100000732702_100000185958 [0,1,0,0,0,1|0,0,0]=2 2042 B17R1.13064 CN(CS(=O)c1ccccc1)CC(C)(C)CO 269982a_100000732702_100000031784 [0,1,0,0,0,1|1,0,1]=4 2043 B17R1.13064 CN(C[C@@H](O)c1ccccc1)CC(C)(C)CO 2230a_100000732702_100011933945 [0,1,0,0,0,1|0,0,0]=2 2044 B17R1.13064 COC(C)(C)CN(C)CC(O)c1ccccc1 269982a_100000227976_100000701081 [0,1,0,0,0,1|2,0,0]=4 2045 B17R1.13064 CSC(C)(C)CN(C)CC(O)c1ccccc1 270004a_100000227976_100009845794 [0,1,0,0,0,1|2,0,0]=4 2046 B17R1.13064 C[C@@H](NC(=O)NC(C)(C)CO)c1ccccc1 2708a_100000751104_100000210608 [0,1,0,0,0,1|1,0,1]=4 2047 B17R1.13064 C[C@@H](NC(=O)NC(C)(C)CO)c1ccccc1 273464a_100000210608_100000751104 [0,1,0,0,0,1|1,0,1]=4 2048 B17R1.13064 C[C@@H](NC(=O)NC(C)(C)CO)c1ccccc1 273464a_100000751104_100000210608 [0,1,0,0,0,1|1,0,1]=4 2049 B17R1.13064 C[C@@H](NC(=O)NC(C)(C)CO)c1ccccc1 512a_100000210608_100000751104 [0,1,0,0,0,1|1,0,1]=4 2050 B17R1.13067 CC(C)(CO)CNC(=O)C(F)c1ccccc1 240690a_100020635058_100000698975 [0,1,0,0,0,1|1,0,1]=4 2051 B17R1.13067 CC(C)(CO)CNC(=O)C(F)c1ccccc1 527a_100020635058_100000698975 [0,1,0,0,0,1|1,0,1]=4 2052 B17R1.13067 CC(C)(CO)CNC(=O)[C@H](O)c1ccccc1 240690a_100020635058_100000684486 [0,1,0,0,0,1|0,0,1]=3 2053 B17R1.13067 CC(NCC(C)(C)CO)C(=O)c1ccccc1 2230a_100020635058_100000239700 [0,1,0,0,0,1|0,0,2]=4 2054 B17R1.13067 CN(C(=O)CNC(C)(C)CO)c1ccccc1 2230a_100000210608_100000183487 [0,1,0,0,0,1|2,0,0]=4 2055 B17R1.13067 C[C@H](C(=O)NCC(C)(C)CO)c1ccccc1 240690a_100020635058_100000751047 [0,1,0,0,0,1|1,0,1]=4 2056 B17R1.13067 C[C@H](C(=O)NCC(C)(C)CO)c1ccccc1 527a_100020635058_100000751047 [0,1,0,0,0,1|1,0,1]=4 2057 B17R1.13067 C[C@H](OCC(C)(C)CO)[C@@H](N)c1ccccc1 34a_100134616770_100009813988 [0,1,0,0,0,1|2,0,0]=4 2058 B17R1.13451 CC(C)(CO)CNCC(O)c1ccccc1Cl 34a_200000759403_100009813988 [0,1,0,0,0,1|0,0,0]=2 2059 B17R1.13451 CC(C)(CO)COCC(N)c1ccccc1Cl 34a_100138412506_100009813988 [0,1,0,0,0,1|2,0,0]=4 2060 B17R1.13451 CC(C)(CO)COC[C@@H](N)c1ccccc1Br 34a_100161155918_100009813988 [0,1,0,0,0,1|2,0,0]=4 2061 B17R1.13451 CC(C)(CO)COC[C@H](N)c1ccccc1F 34a_100009818778_100009813988 [0,1,0,0,0,1|2,0,0]=4 2062 B17R1.13451 CC(C)(CO)NCCC(=O)c1ccccc1F 2230a_100000210608_100000086012 [0,1,0,0,0,1|0,0,2]=4 2063 B17R1.13451 COC(C)(C)CNCC(O)c1ccccc1Cl 34a_200000759403_100000701081 [0,1,0,0,0,1|2,0,0]=4 2064 B17R1.13451 CSC(C)(C)CNCC(O)c1ccccc1Br 270004a_100011236429_100009845794 [0,1,0,0,0,1|2,0,0]=4 2065 B17R1.13451 CSC(C)(C)CNCC(O)c1ccccc1Cl 270004a_200000759403_100009845794 [0,1,0,0,0,1|2,0,0]=4 2066 B17R1.13451 Cc1ccccc1C(=O)CNCC(C)(C)CO 2230a_100020635058_100000741374 [0,1,0,0,0,1|0,0,2]=4 2067 B17R1.16182 CC(C)(CNCC(O)c1ccccc1)C(=O)N 2230a_100000740840_100000185958 [0,1,0,0,0,1|0,0,2]=4 2068 B17R1.16182 CC(C)(CNCC(O)c1ccccc1)C(=O)N 34a_100000740840_100000185958 [0,1,0,0,0,1|0,0,2]=4 2069 B17R1.16182 CC(C)(CNCC(O)c1ccccc1)C(=O)O 269956a_100000693527_100000185958 [0,1,0,0,0,1|0,0,1]=3 2070 B17R1.16182 CC(C)(CNC[C@@H](O)c1ccccc1)C(=O)N 2230a_100000740840_100011933945 [0,1,0,0,0,1|0,0,2]=4 2071 B17R1.16182 CC(C)(CNC[C@@H](O)c1ccccc1)C(=O)N 34a_100000740840_100011933945 [0,1,0,0,0,1|0,0,2]=4 2072 B17R1.16182 CC(C)(CNC[C@@H](O)c1ccccc1)C(=O)O 269956a_100000693527_100011933945 [0,1,0,0,0,1|0,0,1]=3 2073 B17R1.16182 CC(C)(NCCC(O)c1ccccc1)C(=O)N 2230a_100000763605_100000702505 [0,1,0,0,0,1|0,0,2]=4 2074 B17R1.16182 CC(C)(NCC[C@@H](O)c1ccccc1)C(=O)N 2230a_100000743658_100000729684 [0,1,0,0,0,1|0,0,2]=4 2075 B17R1.16182 CC(C)(NCC[C@@H](O)c1ccccc1)C(=O)N 34a_100000743658_100000729684 [0,1,0,0,0,1|0,0,2]=4 2076 B17R1.16182 CC(C)(ONCC(O)c1ccccc1)C(=O)O 269956a_100016989451_100000185958 [0,1,0,0,0,1|0,0,1]=3 2077 B17R1.16182 CC(C)(ONC[C@@H](O)c1ccccc1)C(=O)O 269956a_100016989451_100011933945 [0,1,0,0,0,1|0,0,1]=3 2078 B17R1.16182 CC(C)C(C)(C)NCC[C@@H](O)c1ccccc1 2230a_200160471154_100000729684 [0,1,0,0,0,1|1,0,0]=3 2079 B17R1.16182 CC(C)C(C)(C)OCC[C@@H](O)c1ccccc1 7a_100011215261_100000729684 [0,1,0,0,0,1|2,0,0]=4 2080 B17R1.16182 CC(CCNC(C)(C)C(C)C)c1ccccc1 270004a_200160471154_100000189432 [0,1,0,0,0,1|2,0,0]=4 2081 B17R1.16182 CC(CNCC(C)(C)C(=O)O)c1ccccc1 269956a_100000693527_100000756946 [0,1,0,0,0,1|1,0,1]=4 2082 B17R1.16182 CC(CNOC(C)(C)C(=O)O)c1ccccc1 269956a_100016989451_100000756946 [0,1,0,0,0,1|1,0,1]=4 2083 B17R1.391 CC(C)(CO)NC(=O)[C@H](O)Cc1ccccc1 240690a_100000210608_100009816399 [0,1,0,0,0,1|0,0,1]=3 2084 B17R1.391 CC(Cc1ccccc1)C(=O)NC(C)(C)CO 240690a_100000210608_100000754839 [0,1,0,0,0,1|1,0,1]=4 2085 B17R1.391 CC(Cc1ccccc1)C(=O)NC(C)(C)CO 527a_100020618417_100000754839 [0,1,0,0,0,1|1,0,1]=4 2086 B17R1.391 CC(Cc1ccccc1)C(C)NC(C)(C)CO 270004a_100000210608_200011390852 [0,1,0,0,0,1|1,0,0]=3 2087 B17R1.391 CC(NC(C)(C)CO)C(=O)Nc1ccccc1 2230a_100000210608_100000183986 [0,1,0,0,0,1|0,0,2]=4 2088 B17R1.391 CC(NC(C)(C)CO)C(C)Oc1ccccc1 270004a_100000210608_100000150574 [0,1,0,0,0,1|1,0,0]=3 2089 B17R1.391 CC(Oc1ccccc1)C(=O)NC(C)(C)CO 240690a_100000210608_100000188414 [0,1,0,0,0,1|1,0,1]=4 2090 B17R1.391 CC(Oc1ccccc1)C(=O)NC(C)(C)CO 527a_100020618417_100000188414 [0,1,0,0,0,1|1,0,1]=4 2091 B17R1.391 CC(Sc1ccccc1)C(=O)NC(C)(C)CO 240690a_100000210608_100000199063 [0,1,0,0,0,1|1,0,1]=4 2092 B17R1.391 CC(Sc1ccccc1)C(=O)NC(C)(C)CO 527a_100020618417_100000199063 [0,1,0,0,0,1|1,0,1]=4 2093 B17R1.391 CCC(C)(C)NC(=O)[C@H](O)Cc1ccccc1 240690a_100000211385_100009816399 [0,1,0,0,0,1|1,0,1]=4 2094 B17R1.391 CCC(C)(C)NC(C)C(C)Cc1ccccc1 270004a_100000211385_200011390852 [0,1,0,0,0,1|2,0,0]=4 2095 B17R1.391 CCC(C)(C)NC(C)C(C)Oc1ccccc1 270004a_100000211385_100000150574 [0,1,0,0,0,1|2,0,0]=4 2096 B17R1.409 CC(C)(CO)NCC(=O)Nc1ccc(cc1)Br 2230a_100000210608_100000183692 [0,1,0,0,0,1|0,0,2]=4 2097 B17R1.409 CC(C)(CO)NCC(=O)Nc1ccc(cc1)Cl 2230a_100000210608_100000182960 [0,1,0,0,0,1|0,0,2]=4 2098 B17R1.409 CC(C)(CO)NCC(=O)Nc1ccc(cc1)F 2230a_100000210608_100000181725 [0,1,0,0,0,1|0,0,2]=4 2099 B17R1.409 CC(C)(CO)NCC(=O)Nc1ccc(cc1)I 2230a_100000210608_100000183000 [0,1,0,0,0,1|0,0,2]=4 2100 B17R1.409 CC(C)(CO)NCC(=O)Nc1ccc(cc1)O 2230a_100000210608_100000233757 [0,1,0,0,0,1|0,0,2]=4 2101 B17R1.409 CC(C)(CO)NCC(=O)Oc1ccc(cc1)Br 2230a_100000210608_200010760497 [0,1,0,0,0,1|0,0,2]=4 2102 B17R1.409 CC(CNC(C)(C)CO)Oc1ccc(cc1)F 2230a_100000210608_100010228477 [0,1,0,0,0,1|1,0,0]=3 2103 B17R1.409 CCC(C)(C)NCC(C)Oc1ccc(cc1)F 2230a_100000211385_100010228477 [0,1,0,0,0,1|2,0,0]=4 2104 B17R1.409 Cc1ccc(cc1)NC(=O)CNC(C)(C)CO 2230a_100000210608_100000182914 [0,1,0,0,0,1|0,0,2]=4 2105 B17R1.410 CC(C)(CO)NCC(=O)Nc1cccc(c1)Br 2230a_100000210608_100000183509 [0,1,0,0,0,1|0,0,2]=4 2106 B17R1.410 CC(C)(CO)NCC(=O)Nc1cccc(c1)Cl 2230a_100000210608_100000182995 [0,1,0,0,0,1|0,0,2]=4 2107 B17R1.410 CC(C)(CO)NCC(=O)Nc1cccc(c1)F 2230a_100000210608_100000183335 [0,1,0,0,0,1|0,0,2]=4 2108 B17R1.410 CC(C)(CO)NCC(=O)Nc1cccc(c1)O 2230a_100000210608_100011236192 [0,1,0,0,0,1|0,0,2]=4 2109 B17R1.410 Cc1cccc(c1)NC(=O)CNC(C)(C)CO 2230a_100000210608_100000182861 [0,1,0,0,0,1|0,0,2]=4 2110 B17R1.2754 C#CC(C)(CC)NC[C@@H](O)Cc1ccccc1 2230a_100000054623_100000729385 [0,1,0,0,0,1|1,0,1]=4 2111 B17R1.2754 CCC(C)(CC)OC[C@@H](O)Cc1ccccc1 7a_100000755174_100000729385 [0,1,0,0,0,1|2,0,0]=4 2112 B17R1.2754 CCC(C)(CC)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100009817345 [0,1,0,0,0,1|2,0,0]=4 2113 B17R1.2754 CCC(C)(CC)SC[C@@H](O)Cc1ccccc1 62a_100009817345_100000729385 [0,1,0,0,0,1|2,0,0]=4 2114 B17R1.4246 C=CCC(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100011995686_100000729385 [0,1,0,0,0,1|2,0,0]=4 2115 B17R1.4246 CC(C)(CCBr)OC[C@@H](O)Cc1ccccc1 7a_100000702414_100000729385 [0,1,0,0,0,1|2,0,0]=4 2116 B17R1.4246 CCCC(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100000748436_100000729385 [0,1,0,0,0,1|2,0,0]=4 2117 B17R1.4246 COCC(C)(C)NCC(=O)Cc1ccccc1 2230a_100000752728_100000233483 [0,1,0,0,0,1|0,0,2]=4 2118 B17R1.4246 COCC(C)(C)NCC(=O)Nc1ccccc1 2230a_100000752728_100000182850 [0,1,0,0,0,1|0,0,2]=4 2119 B17R1.4246 COCC(C)(C)NCC(=O)Oc1ccccc1 2230a_100000752728_100009813826 [0,1,0,0,0,1|0,0,2]=4 2120 B17R1.4246 COCC(C)(C)NC[C@@H](O)Cc1ccccc1 2230a_100000752728_100000729385 [0,1,0,0,0,1|0,0,0]=2 2121 B17R1.4246 CSCC(C)(C)NC[C@@H](O)Cc1ccccc1 2230a_100000759623_100000729385 [0,1,0,0,0,1|0,1,0]=3 2122 B17R1.4246 CSCC(C)(C)NC[C@@H](O)Cc1ccccc1 7a_100000759623_100000729385 [0,1,0,0,0,1|0,1,0]=3 2123 B17R1.13320 CC(C)(CO)NCC(=O)Cc1ccccc1Br 2230a_100000210608_100000700504 [0,1,0,0,0,1|0,0,2]=4 2124 B17R1.13320 CC(C)(CO)NCC(=O)Nc1ccccc1Br 2230a_100000210608_100000182372 [0,1,0,0,0,1|0,0,2]=4 2125 B17R1.13320 CC(C)(CO)NCC(=O)Nc1ccccc1Cl 2230a_100000210608_100000182448 [0,1,0,0,0,1|0,0,2]=4 2126 B17R1.13320 CC(C)(CO)NCC(=O)Nc1ccccc1F 2230a_100000210608_100000182988 [0,1,0,0,0,1|0,0,2]=4 2127 B17R1.13320 CC(C)(CO)NCC(=O)Nc1ccccc1I 2230a_100000210608_100000180142 [0,1,0,0,0,1|0,0,2]=4 2128 B17R1.13320 Cc1ccccc1CC(=O)CNC(C)(C)CO 2230a_100000210608_100011223134 [0,1,0,0,0,1|0,0,2]=4 2129 B17R1.13320 Cc1ccccc1NC(=O)CNC(C)(C)CO 2230a_100000210608_100000183529 [0,1,0,0,0,1|0,0,2]=4 2130 B17R1.13372 CCC(C)(C)N(C)C[C@@H](O)Cc1ccccc1 2230a_200000755171_100000729385 [0,1,0,0,0,1|1,0,0]=3 2131 B17R1.13372 CCC(C)(C)N(C)C[C@@H](O)Cc1ccccc1 269982a_200000755171_100000729385 [0,1,0,0,0,1|1,0,0]=3 2132 B17R1.13372 CN(CC(=O)Cc1ccccc1)C(C)(C)CO 269982a_100015204102_100000233483 [0,1,0,0,0,1|0,0,2]=4 2133 B17R1.13372 CN(CC(=O)Nc1ccccc1)C(C)(C)CO 269982a_100015204102_100000182850 [0,1,0,0,0,1|0,0,2]=4 2134 B17R1.13372 CN(CC(=O)Oc1ccccc1)C(C)(C)CO 269982a_100015204102_100009813826 [0,1,0,0,0,1|0,0,2]=4 2135 B17R1.13372 CN(C[C@@H](O)Cc1ccccc1)C(C)(C)CO 269982a_100015204102_100000729385 [0,1,0,0,0,1|0,0,0]=2 2136 B17R1.16185 CC(C)(NCC(O)Cc1ccccc1)C(=O)N 2230a_100000752270_100000702505 [0,1,0,0,0,1|0,0,2]=4 2137 B17R1.16185 CC(C)(NC[C@@H](O)Cc1ccccc1)C(=O)N 2230a_100000743658_100000729385 [0,1,0,0,0,1|0,0,2]=4 2138 B17R1.16185 CC(C)(NC[C@@H](O)Cc1ccccc1)C(=O)N 34a_100000743658_100000729385 [0,1,0,0,0,1|0,0,2]=4 2139 B17R1.16185 CC(C)C(C)(C)NC[C@@H](O)Cc1ccccc1 2230a_200160471154_100000729385 [0,1,0,0,0,1|1,0,0]=3 2140 B17R1.16185 CC(C)C(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100011215261_100000729385 [0,1,0,0,0,1|2,0,0]=4 2141 B17R1.19717 C#CC(C)(C)NCC(CO)Cc1ccccc1 34a_100160572655_100000038118 [0,1,0,0,0,1|1,0,1]=4 2142 B17R1.19717 CC(C)(C#N)NCC(CO)Cc1ccccc1 34a_100160572655_100011162410 [0,1,0,0,0,1|1,0,1]=4 2143 B17R1.388 CC(C)(CF)C(=O)CC(O)c1ccc(cc1)Cl 1458a_100000138116_200011996143 [0,2,0,0,0,0|2,0,0]=4 2144 B17R1.388 CC(C)(CF)C(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000138116_100000720402 [0,2,0,0,0,0|2,0,0]=4 2145 B17R1.388 CC(C)(CO)C(=O)CC(O)c1ccc(cc1)Cl 1458a_100000749806_200011996143 [0,2,0,0,0,0|1,0,0]=3 2146 B17R1.388 CC(C)(CO)C(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000749806_100000720402 [0,2,0,0,0,0|1,0,0]=3 2147 B17R1.388 CCC(C)(C)C(=O)CC(O)c1ccc(cc1)Cl 1458a_100000749717_200011996143 [0,2,0,0,0,0|2,0,0]=4 2148 B17R1.388 CCC(C)(C)C(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000749717_100000720402 [0,2,0,0,0,0|2,0,0]=4 2149 B17R1.388 CCC(C)(C)N(C)CC(O)c1ccc(cc1)Cl 2230a_200000755171_200011996143 [0,2,0,0,0,0|1,0,0]=3 2150 B17R1.388 CCC(C)(C)N(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000032637 [0,2,0,0,0,0|1,0,0]=3 2151 B17R1.388 CCC(C)(C)N(C)C[C@H](O)c1ccc(cc1)F 2230a_200000755171_100000720402 [0,2,0,0,0,0|1,0,0]=3 2152 B17R1.388 CN(CC(=O)c1ccc(cc1)Br)C(C)(C)CO 269982a_100015204102_100000188085 [0,2,0,0,0,0|0,0,2]=4 2153 B17R1.388 CN(CC(=O)c1ccc(cc1)Cl)C(C)(C)CO 269982a_100015204102_100000211071 [0,2,0,0,0,0|0,0,2]=4 2154 B17R1.388 CN(CC(=O)c1ccc(cc1)F)C(C)(C)CO 269982a_100015204102_100000211279 [0,2,0,0,0,0|0,0,2]=4 2155 B17R1.388 CN(CC(=O)c1ccc(cc1)I)C(C)(C)CO 269982a_100015204102_100011216261 [0,2,0,0,0,0|0,0,2]=4 2156 B17R1.388 CN(CC(=O)c1ccc(cc1)O)C(C)(C)CO 269982a_100015204102_100009814261 [0,2,0,0,0,0|0,0,2]=4 2157 B17R1.388 CN(CC(O)c1ccc(cc1)O)C(C)(C)C#N 269982a_100016988945_100011162410 [0,2,0,0,0,0|1,0,1]=4 2158 B17R1.388 Cc1ccc(cc1)C(=O)CN(C)C(C)(C)CO 269982a_100015204102_100000211441 [0,2,0,0,0,0|0,0,2]=4 2159 B17R1.392 C#CC(C)(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000038118 [0,2,0,0,0,0|1,0,1]=4 2160 B17R1.392 CC(C(=O)NC(C)(C)CO)c1ccc(cc1)Cl 240690a_100000210608_100011216001 [0,2,0,0,0,0|1,0,1]=4 2161 B17R1.392 CC(C(=O)NC(C)(C)CO)c1ccc(cc1)Cl 527a_100020618417_100011216001 [0,2,0,0,0,0|1,0,1]=4 2162 B17R1.392 CC(C(=O)NC(C)(C)CO)c1ccc(cc1)F 240690a_100000210608_100011435297 [0,2,0,0,0,0|1,0,1]=4 2163 B17R1.392 CC(C(=O)NC(C)(C)CO)c1ccc(cc1)F 527a_100020618417_100011435297 [0,2,0,0,0,0|1,0,1]=4 2164 B17R1.392 CC(C(=O)NC(C)(C)CO)c1ccc(cc1)O 240690a_100000210608_100000031422 [0,2,0,0,0,0|1,0,1]=4 2165 B17R1.392 CC(C)(CO)NC(=O)C(F)c1ccc(cc1)Cl 240690a_100000210608_100012277543 [0,2,0,0,0,0|1,0,1]=4 2166 B17R1.392 CC(C)(CO)NC(=O)C(F)c1ccc(cc1)Cl 527a_100020618417_100012277543 [0,2,0,0,0,0|1,0,1]=4 2167 B17R1.392 CC(C)(CO)NC(=O)C(O)c1ccc(cc1)Br 240690a_100000210608_100000756554 [0,2,0,0,0,0|0,0,1]=3 2168 B17R1.392 CC(C)(CO)NC(=O)C(O)c1ccc(cc1)F 240690a_100000210608_100000209909 [0,2,0,0,0,0|0,0,1]=3 2169 B17R1.392 CC(C)(CO)NC(=O)C(O)c1ccc(cc1)O 240690a_100000210608_100011215213 [0,2,0,0,0,0|0,0,1]=3 2170 B17R1.392 CC(C)(CO)NC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000210608_100009817493 [0,2,0,0,0,0|0,0,1]=3 2171 B17R1.392 CC(NC(C)(C)CO)C(=O)c1ccc(cc1)Br 2230a_100000210608_100000184162 [0,2,0,0,0,0|0,0,2]=4 2172 B17R1.392 CC(NC(C)(C)CO)C(=O)c1ccc(cc1)Cl 2230a_100000210608_100000183210 [0,2,0,0,0,0|0,0,2]=4 2173 B17R1.392 CC(NC(C)(C)CO)C(=O)c1ccc(cc1)F 2230a_100000210608_100000229918 [0,2,0,0,0,0|0,0,2]=4 2174 B17R1.392 CC(NC(C)(C)CO)C(=O)c1ccc(cc1)O 2230a_100000210608_200010205864 [0,2,0,0,0,0|0,0,2]=4 2175 B17R1.392 CCC(C)(C)NC(=O)C(O)c1ccc(cc1)Br 240690a_100000211385_100000756554 [0,2,0,0,0,0|1,0,1]=4 2176 B17R1.392 CCC(C)(C)NC(=O)C(O)c1ccc(cc1)F 240690a_100000211385_100000209909 [0,2,0,0,0,0|1,0,1]=4 2177 B17R1.392 CCC(C)(C)NC(=O)C(O)c1ccc(cc1)O 240690a_100000211385_100011215213 [0,2,0,0,0,0|1,0,1]=4 2178 B17R1.392 CCC(C)(C)NC(=O)[C@H](O)c1ccc(cc1)C 240690a_100000211385_100009815954 [0,2,0,0,0,0|1,0,1]=4 2179 B17R1.392 CCC(C)(C)NC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000211385_100009817493 [0,2,0,0,0,0|1,0,1]=4 2180 B17R1.392 C[C@@H](NC(C)(C)C#N)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011162410 [0,2,0,0,0,0|1,0,1]=4 2181 B17R1.392 Cc1ccc(cc1)C(=O)C(C)NC(C)(C)CO 2230a_100000210608_100000726416 [0,2,0,0,0,0|0,0,2]=4 2182 B17R1.392 Cc1ccc(cc1)C(C)C(=O)NC(C)(C)CO 240690a_100000210608_100000751627 [0,2,0,0,0,0|1,0,1]=4 2183 B17R1.392 Cc1ccc(cc1)C(C)C(=O)NC(C)(C)CO 527a_100020618417_100000751627 [0,2,0,0,0,0|1,0,1]=4 2184 B17R1.392 Cc1ccc(cc1)[C@@H](O)C(=O)NC(C)(C)CO 240690a_100000210608_100009815954 [0,2,0,0,0,0|0,0,1]=3 2185 B17R1.2729 C#CC(C)(CC)NCC(O)c1ccc(cc1)Cl 2230a_100000054623_200011996143 [0,2,0,0,0,0|1,0,1]=4 2186 B17R1.2729 C#CC(C)(CC)NC[C@H](O)c1ccc(cc1)F 2230a_100000054623_100000720402 [0,2,0,0,0,0|1,0,1]=4 2187 B17R1.2729 CCC(C)(CC)OCC(O)c1ccc(cc1)Cl 7a_100000755174_200011996143 [0,2,0,0,0,0|2,0,0]=4 2188 B17R1.2729 CCC(C)(CC)OC[C@H](O)c1ccc(cc1)F 7a_100000755174_100000720402 [0,2,0,0,0,0|2,0,0]=4 2189 B17R1.2729 CCC(C)(CC)SCC(O)c1ccc(cc1)Cl 62a_100009817345_200011996143 [0,2,0,0,0,0|2,0,0]=4 2190 B17R1.2729 CCC(C)(CC)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100009817345 [0,2,0,0,0,0|2,0,0]=4 2191 B17R1.2729 CCC(C)(CC)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009817345 [0,2,0,0,0,0|2,0,0]=4 2192 B17R1.2729 CCC(C)(CC)SC[C@H](O)c1ccc(cc1)F 62a_100009817345_100000720402 [0,2,0,0,0,0|2,0,0]=4 2193 B17R1.10607 C#CC(C)(C)NCC(O)c1ccc(cc1)OC 34a_100000738651_100000038118 [0,2,0,0,0,0|1,0,1]=4 2194 B17R1.10607 CC(C)(CO)NCC(=O)c1ccc(cc1)C#N 2230a_100000210608_100000212069 [0,2,0,0,0,0|0,0,2]=4 2195 B17R1.10607 CCc1ccc(cc1)C(=O)CNC(C)(C)CO 2230a_100000210608_100000689809 [0,2,0,0,0,0|0,0,2]=4 2196 B17R1.10607 COc1ccc(cc1)C(=O)CNC(C)(C)CO 2230a_100000210608_100000212054 [0,2,0,0,0,0|0,0,2]=4 2197 B17R1.10607 COc1ccc(cc1)C(O)CNC(C)(C)C#N 34a_100000738651_100011162410 [0,2,0,0,0,0|1,0,1]=4 2198 B17R1.10607 CSc1ccc(cc1)C(=O)CNC(C)(C)CO 2230a_100000210608_100011216809 [0,2,0,0,0,0|0,0,2]=4 2199 B17R1.13080 CC(C)(CO)NCC(C)(C)c1ccc(cc1)Br 270004a_100000210608_100010228009 [0,2,0,0,0,0|1,0,0]=3 2200 B17R1.13080 CCC(C)(C)NCC(C)(C)c1ccc(cc1)Br 270004a_100000211385_100010228009 [0,2,0,0,0,0|2,0,0]=4 2201 B17R1.13317 C#CC(C)(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000038118 [0,2,0,0,0,0|1,0,1]=4 2202 B17R1.13317 C#CC(C)(C)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100000054563_100000761251 [0,2,0,0,0,0|1,0,1]=4 2203 B17R1.13317 CC(C)(C#N)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011162410 [0,2,0,0,0,0|1,0,1]=4 2204 B17R1.13317 CC(C)(CCl)OC[C@@H](O)c1ccc(c(c1)F)F 7a_100000764493_100000761251 [0,2,0,0,0,0|2,0,0]=4 2205 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)Br)F 2230a_100000210608_100011217175 [0,2,0,0,0,0|0,0,2]=4 2206 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)Cl)Br 2230a_100000210608_200012349649 [0,2,0,0,0,0|0,0,2]=4 2207 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100000210608_100000211430 [0,2,0,0,0,0|0,0,2]=4 2208 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)Cl)F 2230a_100000210608_100000757878 [0,2,0,0,0,0|0,0,2]=4 2209 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)F)Br 2230a_100000210608_100012361357 [0,2,0,0,0,0|0,0,2]=4 2210 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)F)Cl 2230a_100000210608_100012351892 [0,2,0,0,0,0|0,0,2]=4 2211 B17R1.13317 CC(C)(CO)NCC(=O)c1ccc(c(c1)F)F 2230a_100000210608_100000183380 [0,2,0,0,0,0|0,0,2]=4 2212 B17R1.13317 CC(C)(CO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000210608_100000761251 [0,2,0,0,0,0|0,0,0]=2 2213 B17R1.13317 CCC(C)(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000211385_100000761251 [0,2,0,0,0,0|1,0,0]=3 2214 B17R1.13317 CCC(C)(C)OC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210230_100000761251 [0,2,0,0,0,0|2,0,0]=4 2215 B17R1.13317 CCC(C)(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000032637_100000761251 [0,2,0,0,0,0|2,0,0]=4 2216 B17R1.13317 CCC(C)(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000032637 [0,2,0,0,0,0|2,0,0]=4 2217 B17R1.13317 Cc1ccc(cc1Br)C(=O)CNC(C)(C)CO 2230a_100000210608_100012346676 [0,2,0,0,0,0|0,0,2]=4 2218 B17R1.13317 Cc1ccc(cc1C)C(=O)CNC(C)(C)CO 2230a_100000210608_100000183365 [0,2,0,0,0,0|0,0,2]=4 2219 B17R1.13317 Cc1ccc(cc1F)C(=O)CNC(C)(C)CO 2230a_100000210608_100011219196 [0,2,0,0,0,0|0,0,2]=4 2220 B17R1.18521 C=CCC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100011995686_200011996143 [0,2,0,0,0,0|2,0,0]=4 2221 B17R1.18521 C=CCC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100011995686_100000720402 [0,2,0,0,0,0|2,0,0]=4 2222 B17R1.18521 CC(C)(CCBr)OCC(O)c1ccc(cc1)Cl 7a_100000702414_200011996143 [0,2,0,0,0,0|2,0,0]=4 2223 B17R1.18521 CC(C)(CCBr)OC[C@H](O)c1ccc(cc1)F 7a_100000702414_100000720402 [0,2,0,0,0,0|2,0,0]=4 2224 B17R1.18521 CCCC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100000748436_200011996143 [0,2,0,0,0,0|2,0,0]=4 2225 B17R1.18521 CCCC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100000748436_100000720402 [0,2,0,0,0,0|2,0,0]=4 2226 B17R1.18521 COCC(C)(C)NCC(=O)c1ccc(cc1)C 2230a_100000752728_100000211441 [0,2,0,0,0,0|0,0,2]=4 2227 B17R1.18521 COCC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000752728_200011996143 [0,2,0,0,0,0|0,0,0]=2 2228 B17R1.18521 COCC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000752728_100000720402 [0,2,0,0,0,0|0,0,0]=2 2229 B17R1.18521 CSCC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000759623_200011996143 [0,2,0,0,0,0|0,1,0]=3 2230 B17R1.18521 CSCC(C)(C)NCC(O)c1ccc(cc1)Cl 7a_100000759623_200011996143 [0,2,0,0,0,0|0,1,0]=3 2231 B17R1.18521 CSCC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000759623_100000720402 [0,2,0,0,0,0|0,1,0]=3 2232 B17R1.18521 CSCC(C)(C)NC[C@H](O)c1ccc(cc1)F 7a_100000759623_100000720402 [0,2,0,0,0,0|0,1,0]=3 2233 B17R1.19718 CC(C)(CO)CNC(CO)c1ccc(cc1)Br 34a_100000734186_100009813988 [0,2,0,0,0,0|2,0,0]=4 2234 B17R1.19718 CC(C)(CO)CNC(CO)c1ccc(cc1)F 34a_100000705410_100009813988 [0,2,0,0,0,0|2,0,0]=4 2235 B17R1.19718 CC(C)(CO)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100009813988 [0,2,0,0,0,0|2,0,0]=4 2236 B17R1.19718 Cc1ccc(cc1)[C@H](CO)NCC(C)(C)CO 34a_100009818840_100009813988 [0,2,0,0,0,0|2,0,0]=4 2237 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)Br)C(=O)N 2230a_100020626992_100000702505 [0,2,0,0,0,0|0,0,2]=4 2238 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)Br)C(=O)N 34a_100020626992_100000702505 [0,2,0,0,0,0|0,0,2]=4 2239 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)Cl)C(=O)N 2230a_100000736658_100000702505 [0,2,0,0,0,0|0,0,2]=4 2240 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)Cl)C(=O)N 2230a_100000743658_200011996143 [0,2,0,0,0,0|0,0,2]=4 2241 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)Cl)C(=O)N 34a_100000736658_100000702505 [0,2,0,0,0,0|0,0,2]=4 2242 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)Cl)C(=O)N 34a_100000743658_200011996143 [0,2,0,0,0,0|0,0,2]=4 2243 B17R1.23637 CC(C)(NCC(O)c1ccc(cc1)O)C(=O)N 34a_100000067596_100000702505 [0,2,0,0,0,0|0,0,2]=4 2244 B17R1.23637 CC(C)(NC[C@H](O)c1ccc(cc1)F)C(=O)N 2230a_100000743658_100000720402 [0,2,0,0,0,0|0,0,2]=4 2245 B17R1.23637 CC(C)(NC[C@H](O)c1ccc(cc1)F)C(=O)N 34a_100000743658_100000720402 [0,2,0,0,0,0|0,0,2]=4 2246 B17R1.23637 CC(C)C(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_200160471154_200011996143 [0,2,0,0,0,0|1,0,0]=3 2247 B17R1.23637 CC(C)C(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_200160471154_100000720402 [0,2,0,0,0,0|1,0,0]=3 2248 B17R1.23637 CC(C)C(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100011215261_200011996143 [0,2,0,0,0,0|2,0,0]=4 2249 B17R1.23637 CC(C)C(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100011215261_100000720402 [0,2,0,0,0,0|2,0,0]=4 2250 B17R1.23637 Cc1ccc(cc1)C(O)CNC(C)(C)C(=O)N 2230a_200020610344_100000702505 [0,2,0,0,0,0|0,0,2]=4 2251 B17R1.23637 Cc1ccc(cc1)C(O)CNC(C)(C)C(=O)N 34a_200020610344_100000702505 [0,2,0,0,0,0|0,0,2]=4 2252 B17R1.90166 C#CC(C)(C)NC[C@@H](O)c1ccc(cc1F)F 34a_100000054563_100000761269 [0,2,0,0,0,0|1,0,1]=4 2253 B17R1.90166 C#CC(C)(C)NC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000054563_100000761231 [0,2,0,0,0,0|1,0,1]=4 2254 B17R1.90166 CC(C)(CCl)OC[C@@H](O)c1ccc(cc1F)F 7a_100000764493_100000761269 [0,2,0,0,0,0|2,0,0]=4 2255 B17R1.90166 CC(C)(CCl)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000764493_100000761231 [0,2,0,0,0,0|2,0,0]=4 2256 B17R1.90166 CC(C)(CO)NCC(=O)c1ccc(cc1Cl)Cl 2230a_100000210608_100011218845 [0,2,0,0,0,0|0,0,2]=4 2257 B17R1.90166 CC(C)(CO)NCC(=O)c1ccc(cc1Cl)F 2230a_100000210608_100012056422 [0,2,0,0,0,0|0,0,2]=4 2258 B17R1.90166 CC(C)(CO)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000210608_100000761269 [0,2,0,0,0,0|0,0,0]=2 2259 B17R1.90166 CC(C)(CO)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000210608_100000761231 [0,2,0,0,0,0|0,0,0]=2 2260 B17R1.90166 CCC(C)(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000211385_100000761269 [0,2,0,0,0,0|1,0,0]=3 2261 B17R1.90166 CCC(C)(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000211385_100000761231 [0,2,0,0,0,0|1,0,0]=3 2262 B17R1.90166 CCC(C)(C)OC[C@@H](O)c1ccc(cc1F)F 7a_100000210230_100000761269 [0,2,0,0,0,0|2,0,0]=4 2263 B17R1.90166 CCC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000210230_100000761231 [0,2,0,0,0,0|2,0,0]=4 2264 B17R1.90166 CCC(C)(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000032637_100000761269 [0,2,0,0,0,0|2,0,0]=4 2265 B17R1.90166 CCC(C)(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000032637 [0,2,0,0,0,0|2,0,0]=4 2266 B17R1.90166 CCC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000032637_100000761231 [0,2,0,0,0,0|2,0,0]=4 2267 B17R1.90166 CCC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000032637 [0,2,0,0,0,0|2,0,0]=4 2268 B17R1.90166 Cc1ccc(c(c1)C)C(=O)CNC(C)(C)CO 2230a_100000210608_100000229959 [0,2,0,0,0,0|0,0,2]=4 2269 B17R1.377 CC(C)(CO)NCC(=O)c1cccc(c1F)Br 2230a_100000210608_100012356374 [0,2,0,0,0,0|0,0,2]=4 2270 B17R1.377 CC(C)(CO)NCC(=O)c1cccc(c1F)Cl 2230a_100000210608_200012351890 [0,2,0,0,0,0|0,0,2]=4 2271 B17R1.389 CCC(C)(C)N(C)CC(O)c1cccc(c1)Br 269982a_200000733937_100000032637 [0,2,0,0,0,0|1,0,0]=3 2272 B17R1.389 CCC(C)(C)N(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_100000032637 [0,2,0,0,0,0|1,0,0]=3 2273 B17R1.389 CN(CC(=O)c1cccc(c1)Br)C(C)(C)CO 269982a_100015204102_100000212080 [0,2,0,0,0,0|0,0,2]=4 2274 B17R1.389 CN(CC(=O)c1cccc(c1)Cl)C(C)(C)CO 269982a_100015204102_100000211444 [0,2,0,0,0,0|0,0,2]=4 2275 B17R1.389 CN(CC(=O)c1cccc(c1)F)C(C)(C)CO 269982a_100015204102_100000215616 [0,2,0,0,0,0|0,0,2]=4 2276 B17R1.389 CN(CC(=O)c1cccc(c1)O)C(C)(C)CO 269982a_100015204102_100009813753 [0,2,0,0,0,0|0,0,2]=4 2277 B17R1.389 CN(CC(O)c1cccc(c1)Br)C(C)(C)C#N 269982a_200000733937_100011162410 [0,2,0,0,0,0|1,0,1]=4 2278 B17R1.389 CN(C[C@H](O)c1cccc(c1)O)C(C)(C)C#N 269982a_100009815823_100011162410 [0,2,0,0,0,0|1,0,1]=4 2279 B17R1.389 Cc1cccc(c1)C(=O)CN(C)C(C)(C)CO 269982a_100015204102_100000739480 [0,2,0,0,0,0|0,0,2]=4 2280 B17R1.393 CC(C(=O)NC(C)(C)CO)c1cccc(c1)Br 240690a_100000210608_100000722698 [0,2,0,0,0,0|1,0,1]=4 2281 B17R1.393 CC(C(=O)NC(C)(C)CO)c1cccc(c1)Br 527a_100020618417_100000722698 [0,2,0,0,0,0|1,0,1]=4 2282 B17R1.393 CC(C(=O)NC(C)(C)CO)c1cccc(c1)Cl 240690a_100000210608_100000762818 [0,2,0,0,0,0|1,0,1]=4 2283 B17R1.393 CC(C(=O)NC(C)(C)CO)c1cccc(c1)Cl 527a_100020618417_100000762818 [0,2,0,0,0,0|1,0,1]=4 2284 B17R1.393 CC(C(=O)NC(C)(C)CO)c1cccc(c1)F 240690a_100000210608_100000762896 [0,2,0,0,0,0|1,0,1]=4 2285 B17R1.393 CC(C(=O)NC(C)(C)CO)c1cccc(c1)F 527a_100020618417_100000762896 [0,2,0,0,0,0|1,0,1]=4 2286 B17R1.393 CC(C)(CO)NC(=O)C(O)c1cccc(c1)Cl 240690a_100000210608_100011216955 [0,2,0,0,0,0|0,0,1]=3 2287 B17R1.393 CC(C)(CO)NC(=O)C(O)c1cccc(c1)F 240690a_100000210608_100011434943 [0,2,0,0,0,0|0,0,1]=3 2288 B17R1.393 CC(NC(C)(C)CO)C(=O)c1cccc(c1)Br 2230a_100000210608_100012349134 [0,2,0,0,0,0|0,0,2]=4 2289 B17R1.393 CC(NC(C)(C)CO)C(=O)c1cccc(c1)Cl 2230a_100000210608_100000184413 [0,2,0,0,0,0|0,0,2]=4 2290 B17R1.393 CC(NC(C)(C)CO)C(=O)c1cccc(c1)F 2230a_100000210608_100012356231 [0,2,0,0,0,0|0,0,2]=4 2291 B17R1.393 CCC(C)(C)NC(=O)C(O)c1cccc(c1)C 240690a_100000211385_100011434945 [0,2,0,0,0,0|1,0,1]=4 2292 B17R1.393 CCC(C)(C)NC(=O)C(O)c1cccc(c1)Cl 240690a_100000211385_100011216955 [0,2,0,0,0,0|1,0,1]=4 2293 B17R1.393 CCC(C)(C)NC(=O)C(O)c1cccc(c1)F 240690a_100000211385_100011434943 [0,2,0,0,0,0|1,0,1]=4 2294 B17R1.393 Cc1cccc(c1)C(O)C(=O)NC(C)(C)CO 240690a_100000210608_100011434945 [0,2,0,0,0,0|0,0,1]=3 2295 B17R1.393 Cc1cccc(c1)[C@@H](C)C(=O)NC(C)(C)CO 240690a_100000210608_200009911544 [0,2,0,0,0,0|1,0,1]=4 2296 B17R1.393 Cc1cccc(c1)[C@@H](C)C(=O)NC(C)(C)CO 527a_100020618417_200009911544 [0,2,0,0,0,0|1,0,1]=4 2297 B17R1.13303 CC(C)(CO)NCC(=O)c1cc(ccc1Br)Cl 2230a_100000210608_100012361344 [0,2,0,0,0,0|0,0,2]=4 2298 B17R1.13303 CC(C)(CO)NCC(=O)c1cc(ccc1Cl)Cl 2230a_100000210608_100000183120 [0,2,0,0,0,0|0,0,2]=4 2299 B17R1.13303 Cc1ccc(c(c1)C(=O)CNC(C)(C)CO)C 2230a_100000210608_100000183774 [0,2,0,0,0,0|0,0,2]=4 2300 B17R1.13307 CC(C)(CO)NCC(=O)c1cc(cc(c1)Cl)Cl 2230a_100000210608_200012340517 [0,2,0,0,0,0|0,0,2]=4 2301 B17R1.13307 CC(C)(CO)NCC(=O)c1cc(cc(c1)F)F 2230a_100000210608_100011216790 [0,2,0,0,0,0|0,0,2]=4 2302 B17R1.13307 CC(C)(CO)NCC(=O)c1cc(cc(c1)O)O 2230a_100000210608_100010006762 [0,2,0,0,0,0|0,0,2]=4 2303 B17R1.18522 COCC(C)(C)NCC(=O)c1cccc(c1)Br 2230a_100000752728_100000212080 [0,2,0,0,0,0|0,0,2]=4 2304 B17R1.18522 COCC(C)(C)NCC(=O)c1cccc(c1)C 2230a_100000752728_100000739480 [0,2,0,0,0,0|0,0,2]=4 2305 B17R1.18522 COCC(C)(C)NCC(=O)c1cccc(c1)Cl 2230a_100000752728_100000211444 [0,2,0,0,0,0|0,0,2]=4 2306 B17R1.18522 COCC(C)(C)NCC(=O)c1cccc(c1)F 2230a_100000752728_100000215616 [0,2,0,0,0,0|0,0,2]=4 2307 B17R1.19719 CC(C)(CO)CNC(CO)c1cccc(c1)Br 34a_100000690078_100009813988 [0,2,0,0,0,0|2,0,0]=4 2308 B17R1.19719 CC(C)(CO)CNC(CO)c1cccc(c1)O 34a_100025717460_100009813988 [0,2,0,0,0,0|2,0,0]=4 2309 B17R1.19719 CC(C)(CO)CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100009813988 [0,2,0,0,0,0|2,0,0]=4 2310 B17R1.19719 CC(C)(CO)CN[C@H](CO)c1cccc(c1)F 34a_100020641251_100009813988 [0,2,0,0,0,0|2,0,0]=4 2311 B17R1.19719 Cc1cccc(c1)[C@@H](CO)NCC(C)(C)CO 34a_100009818812_100009813988 [0,2,0,0,0,0|2,0,0]=4 2312 B17R1.45822 CC(C)(CO)NCC(=O)c1cccc(c1)C#N 2230a_100000210608_100000751541 [0,2,0,0,0,0|0,0,2]=4 2313 B17R1.64051 CC(C)(NCC(O)c1cccc(c1)O)C(=O)N 2230a_100020657549_100000702505 [0,2,0,0,0,0|0,0,2]=4 2314 B17R1.64051 CC(C)(NCC(O)c1cccc(c1)O)C(=O)N 34a_100020657549_100000702505 [0,2,0,0,0,0|0,0,2]=4 2315 B17R1.419 CC(C(=O)c1ccccc1)N(C)C(C)(C)CO 269982a_100015204102_100000239700 [0,2,0,0,0,0|0,0,2]=4 2316 B17R1.419 CCC(C)(C)N(C)C(=O)[C@H](O)c1ccccc1 240690a_200000755171_100000684486 [0,2,0,0,0,0|1,0,1]=4 2317 B17R1.419 CN(C(=O)C(F)c1ccccc1)C(C)(C)CO 240690a_100015204102_100000698975 [0,2,0,0,0,0|1,0,1]=4 2318 B17R1.419 CN(C(=O)C(F)c1ccccc1)C(C)(C)CO 527a_100015204102_100000698975 [0,2,0,0,0,0|1,0,1]=4 2319 B17R1.419 CN(C(=O)[C@H](O)c1ccccc1)C(C)(C)CO 240690a_100015204102_100000684486 [0,2,0,0,0,0|0,0,1]=3 2320 B17R1.419 C[C@H](C(=O)N(C)C(C)(C)CO)c1ccccc1 240690a_100015204102_100000751047 [0,2,0,0,0,0|1,0,1]=4 2321 B17R1.419 C[C@H](C(=O)N(C)C(C)(C)CO)c1ccccc1 527a_100015204102_100000751047 [0,2,0,0,0,0|1,0,1]=4 2322 B17R1.2738 CC(CC(=O)C(C)(CO)CO)c1ccccc1 1458a_100000693232_100000756946 [0,2,0,0,0,0|2,0,0]=4 2323 B17R1.2738 CC(CO)(CO)C(=O)CC(O)c1ccccc1 1458a_100000693232_100000185958 [0,2,0,0,0,0|1,0,0]=3 2324 B17R1.2738 CC(CO)(CO)C(=O)C[C@@H](O)c1ccccc1 1458a_100000693232_100011933945 [0,2,0,0,0,0|1,0,0]=3 2325 B17R1.2738 CCC(C)(CC)C(=O)CC(O)c1ccccc1 1458a_100000690199_100009817345 [0,2,0,0,0,0|2,0,0]=4 2326 B17R1.2738 CCC(C)(CC)C(=O)CC(O)c1ccccc1 1458a_100000760562_100000185958 [0,2,0,0,0,0|2,0,0]=4 2327 B17R1.2738 CCC(C)(CC)C(=O)C[C@@H](O)c1ccccc1 1458a_100000760562_100011933945 [0,2,0,0,0,0|2,0,0]=4 2328 B17R1.2738 CCC(C)(CC)N(C)CC(O)c1ccccc1 269982a_100000227976_100009817345 [0,2,0,0,0,0|1,0,0]=3 2329 B17R1.4224 C=CCC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100000705796_100000185958 [0,2,0,0,0,0|2,0,0]=4 2330 B17R1.4224 C=CCC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000705796_100011933945 [0,2,0,0,0,0|2,0,0]=4 2331 B17R1.4224 CCCC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100011215034_100000185958 [0,2,0,0,0,0|2,0,0]=4 2332 B17R1.4224 CCCC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100011215034_100011933945 [0,2,0,0,0,0|2,0,0]=4 2333 B17R1.4224 CCOC(C)(C)C(=O)CC(O)c1ccccc1 1458a_100011458965_100000185958 [0,2,0,0,0,0|2,0,0]=4 2334 B17R1.4224 CCOC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100011458965_100011933945 [0,2,0,0,0,0|2,0,0]=4 2335 B17R1.4224 COCC(C)(C)N(C)CC(=O)c1ccccc1 269982a_100000734271_100000211460 [0,2,0,0,0,0|0,0,2]=4 2336 B17R1.4224 COCC(C)(C)N(C)CC(C)c1ccccc1 2230a_100000734271_100000756946 [0,2,0,0,0,0|1,0,0]=3 2337 B17R1.4224 COCC(C)(C)N(C)CC(C)c1ccccc1 269982a_100000734271_100000756946 [0,2,0,0,0,0|1,0,0]=3 2338 B17R1.4224 COCC(C)(C)N(C)CC(C)c1ccccc1 270004a_100000734271_100000212034 [0,2,0,0,0,0|1,0,0]=3 2339 B17R1.4224 COCC(C)(C)N(C)CC(O)c1ccccc1 2230a_100000734271_100000185958 [0,2,0,0,0,0|0,0,0]=2 2340 B17R1.4224 COCC(C)(C)N(C)CS(=O)c1ccccc1 269982a_100000734271_100000031784 [0,2,0,0,0,0|1,0,1]=4 2341 B17R1.4224 COCC(C)(C)N(C)C[C@@H](O)c1ccccc1 2230a_100000734271_100011933945 [0,2,0,0,0,0|0,0,0]=2 2342 B17R1.13370 CCC(C)(C)N(C)CC(C)(C)c1ccccc1 269982a_200000755171_100000703224 [0,2,0,0,0,0|2,0,0]=4 2343 B17R1.13370 CCC(C)(C)N(C)CC(C)(O)c1ccccc1 269982a_100011660921_100000032637 [0,2,0,0,0,0|1,0,0]=3 2344 B17R1.13370 CCC(C)(C)N(C)CC(F)(F)c1ccccc1 269982a_200000755171_100009875531 [0,2,0,0,0,0|2,0,0]=4 2345 B17R1.13370 CN(CC(C)(C)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000703224 [0,2,0,0,0,0|1,0,0]=3 2346 B17R1.13370 CN(CC(C)(O)c1ccccc1)C(C)(C)C#N 269982a_100011660921_100011162410 [0,2,0,0,0,0|1,0,1]=4 2347 B17R1.13370 CN(CC(F)(F)c1ccccc1)C(C)(C)CO 269982a_100015204102_100009875531 [0,2,0,0,0,0|1,0,0]=3 2348 B17R1.13370 CN(CS(=O)(=O)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000240042 [0,2,0,0,0,0|1,0,1]=4 2349 B17R1.13370 CN(C[Si](C)(C)c1ccccc1)C(C)(C)CO 269982a_100015204102_100000038972 [0,2,0,0,0,0|1,1,0]=4 2350 B17R1.13386 CN(CC(=O)c1ccccc1Br)C(C)(C)CO 269982a_100015204102_100000199116 [0,2,0,0,0,0|0,0,2]=4 2351 B17R1.13386 CN(CC(=O)c1ccccc1Cl)C(C)(C)CO 269982a_100015204102_100000211432 [0,2,0,0,0,0|0,0,2]=4 2352 B17R1.13386 CN(CC(=O)c1ccccc1F)C(C)(C)CO 269982a_100015204102_100000204681 [0,2,0,0,0,0|0,0,2]=4 2353 B17R1.13386 CN(CC(=O)c1ccccc1O)C(C)(C)CO 269982a_100015204102_100000188908 [0,2,0,0,0,0|0,0,2]=4 2354 B17R1.13386 Cc1ccccc1C(=O)CN(C)C(C)(C)CO 269982a_100015204102_100000741374 [0,2,0,0,0,0|0,0,2]=4 2355 B17R1.16178 CC(=O)C(C)(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100000075568 [0,2,0,0,0,0|0,0,2]=4 2356 B17R1.16178 CN(C)C(C)(C)N(C)CC(O)c1ccccc1 269982a_100000227976_217856628674 [0,2,0,0,0,0|2,0,0]=4 2357 B17R1.16178 CN(CC(O)c1ccccc1)C(C)(C)C(=O)N 2230a_100000227976_100000702505 [0,2,0,0,0,0|0,0,2]=4 2358 B17R1.16178 CN(CC(O)c1ccccc1)C(C)(C)C(=O)N 269982a_100000227976_100000702505 [0,2,0,0,0,0|0,0,2]=4 2359 B17R1.16178 CN(CC(O)c1ccccc1)C(C)(C)[N+](=O)[O-] 269982a_100000227976_200009813997 [0,2,0,0,0,0|1,0,1]=4 2360 B17R1.16723 CCN(CC(=O)c1ccccc1)C(C)(C)CO 269982a_100000747347_100000211460 [0,2,0,0,0,0|0,0,2]=4 2361 B17R1.16723 CCN(CC(C)c1ccccc1)C(C)(C)CO 269982a_100000747347_100000756946 [0,2,0,0,0,0|1,0,0]=3 2362 B17R1.16723 CCN(CS(=O)c1ccccc1)C(C)(C)CO 269982a_100000747347_100000031784 [0,2,0,0,0,0|1,0,1]=4 2363 B17R1.16795 CC(C)(CO)C(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000749806 [0,2,0,0,0,0|2,0,0]=4 2364 B17R1.16795 CC(C)(CO)C(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000749806 [0,2,0,0,0,0|2,0,0]=4 2365 B17R1.16795 CCC(CN(C)C(C)(C)CC)c1ccccc1 270004a_200000755171_100000753018 [0,2,0,0,0,0|2,0,0]=4 2366 B17R1.2741 CC(CO)(CO)NC(=O)C(F)c1ccccc1 240690a_100000764395_100000698975 [0,2,0,0,0,0|1,0,1]=4 2367 B17R1.2741 CC(CO)(CO)NC(=O)C(F)c1ccccc1 527a_100000764395_100000698975 [0,2,0,0,0,0|1,0,1]=4 2368 B17R1.2741 CC(CO)(CO)NC(=O)[C@H](O)c1ccccc1 240690a_100000764395_100000684486 [0,2,0,0,0,0|0,0,1]=3 2369 B17R1.2741 CCC(C)(CO)NC(=O)C(F)c1ccccc1 240690a_100000747662_100000698975 [0,2,0,0,0,0|1,0,1]=4 2370 B17R1.2741 CCC(C)(CO)NC(=O)C(F)c1ccccc1 527a_100000747662_100000698975 [0,2,0,0,0,0|1,0,1]=4 2371 B17R1.2741 CCC(C)(CO)NC(=O)[C@@H](C)c1ccccc1 240690a_100000747662_100000751047 [0,2,0,0,0,0|1,0,1]=4 2372 B17R1.2741 CCC(C)(CO)NC(=O)[C@@H](C)c1ccccc1 527a_100000747662_100000751047 [0,2,0,0,0,0|1,0,1]=4 2373 B17R1.2741 CCC(C)(CO)NC(=O)[C@H](O)c1ccccc1 240690a_100000747662_100000684486 [0,2,0,0,0,0|0,0,1]=3 2374 B17R1.2741 C[C@H](C(=O)NC(C)(CO)CO)c1ccccc1 240690a_100000764395_100000751047 [0,2,0,0,0,0|1,0,1]=4 2375 B17R1.2741 C[C@H](C(=O)NC(C)(CO)CO)c1ccccc1 527a_100000764395_100000751047 [0,2,0,0,0,0|1,0,1]=4 2376 B17R1.4227 CC(C)(CCO)NC(=O)C(F)c1ccccc1 240690a_100000763138_100000698975 [0,2,0,0,0,0|1,0,1]=4 2377 B17R1.4227 CC(C)(CCO)NC(=O)C(F)c1ccccc1 527a_100000763138_100000698975 [0,2,0,0,0,0|1,0,1]=4 2378 B17R1.4227 CC(C)(CCO)NC(=O)[C@H](O)c1ccccc1 240690a_100000763138_100000684486 [0,2,0,0,0,0|0,0,1]=3 2379 B17R1.4227 COCC(C)(C)NC(=O)C(F)c1ccccc1 11a_100000752728_100000698975 [0,2,0,0,0,0|1,0,1]=4 2380 B17R1.4227 COCC(C)(C)NC(=O)C(F)c1ccccc1 1626a_100000752728_100000698975 [0,2,0,0,0,0|1,0,1]=4 2381 B17R1.4227 COCC(C)(C)NC(=O)C(F)c1ccccc1 240690a_100000752728_100000698975 [0,2,0,0,0,0|1,0,1]=4 2382 B17R1.4227 COCC(C)(C)NC(=O)C(F)c1ccccc1 527a_100000752728_100000698975 [0,2,0,0,0,0|1,0,1]=4 2383 B17R1.4227 COCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 11a_100000752728_100000751047 [0,2,0,0,0,0|1,0,1]=4 2384 B17R1.4227 COCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 1626a_100000752728_100000751047 [0,2,0,0,0,0|1,0,1]=4 2385 B17R1.4227 COCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 240690a_100000752728_100000751047 [0,2,0,0,0,0|1,0,1]=4 2386 B17R1.4227 COCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 527a_100000752728_100000751047 [0,2,0,0,0,0|1,0,1]=4 2387 B17R1.4227 COCC(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000752728_100000684486 [0,2,0,0,0,0|0,0,1]=3 2388 B17R1.4227 COCC(C)(C)NC(C)C(=O)c1ccccc1 2230a_100000752728_100000239700 [0,2,0,0,0,0|0,0,2]=4 2389 B17R1.4227 CSCC(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000759623_100000684486 [0,2,0,0,0,0|0,1,1]=4 2390 B17R1.4227 C[C@H](C(=O)NC(C)(C)CCO)c1ccccc1 240690a_100000763138_100000751047 [0,2,0,0,0,0|1,0,1]=4 2391 B17R1.4227 C[C@H](C(=O)NC(C)(C)CCO)c1ccccc1 527a_100000763138_100000751047 [0,2,0,0,0,0|1,0,1]=4 2392 B17R1.13396 CC(C(=O)NC(C)(C)CO)c1ccccc1Br 240690a_100000210608_100012359601 [0,2,0,0,0,0|1,0,1]=4 2393 B17R1.13396 CC(C(=O)NC(C)(C)CO)c1ccccc1Br 527a_100020618417_100012359601 [0,2,0,0,0,0|1,0,1]=4 2394 B17R1.13396 CC(C(=O)NC(C)(C)CO)c1ccccc1Cl 240690a_100000210608_100011667492 [0,2,0,0,0,0|1,0,1]=4 2395 B17R1.13396 CC(C(=O)NC(C)(C)CO)c1ccccc1Cl 527a_100020618417_100011667492 [0,2,0,0,0,0|1,0,1]=4 2396 B17R1.13396 CC(C)(CO)NC(=O)C(O)c1ccccc1Br 240690a_100000210608_200011356456 [0,2,0,0,0,0|0,0,1]=3 2397 B17R1.13396 CC(C)(CO)NC(=O)C(O)c1ccccc1Cl 240690a_100000210608_100011217820 [0,2,0,0,0,0|0,0,1]=3 2398 B17R1.13396 CC(C)(CO)NC(=O)C(O)c1ccccc1F 240690a_100000210608_100011219519 [0,2,0,0,0,0|0,0,1]=3 2399 B17R1.13396 CC(NC(C)(C)CO)C(=O)c1ccccc1Cl 2230a_100000210608_100010255250 [0,2,0,0,0,0|0,0,2]=4 2400 B17R1.13396 CCC(C)(C)NC(=O)C(O)c1ccccc1Br 240690a_100000211385_200011356456 [0,2,0,0,0,0|1,0,1]=4 2401 B17R1.13396 CCC(C)(C)NC(=O)C(O)c1ccccc1Cl 240690a_100000211385_100011217820 [0,2,0,0,0,0|1,0,1]=4 2402 B17R1.13396 CCC(C)(C)NC(=O)C(O)c1ccccc1F 240690a_100000211385_100011219519 [0,2,0,0,0,0|1,0,1]=4 2403 B17R1.13653 CC(C)(CO)NC(C)(C)C(=O)c1ccccc1 2230a_100000210608_200009813919 [0,2,0,0,0,0|0,0,2]=4 2404 B17R1.13848 CC(C)(CO)NC(=O)C(C)(C)c1ccccc1 240690a_100000210608_100000211857 [0,2,0,0,0,0|1,0,1]=4 2405 B17R1.13848 CC(C)(CO)NC(=O)C(C)(C)c1ccccc1 527a_100020618417_100000211857 [0,2,0,0,0,0|1,0,1]=4 2406 B17R1.13848 CC(C)(CO)NC(=O)C(F)(F)c1ccccc1 240690a_100000210608_100000182030 [0,2,0,0,0,0|1,0,1]=4 2407 B17R1.13848 CC(C)(CO)NC(=O)C(F)(F)c1ccccc1 527a_100020618417_100000182030 [0,2,0,0,0,0|1,0,1]=4 2408 B17R1.13848 CC(C)(CO)NC(=O)[C@](C)(O)c1ccccc1 240690a_100000210608_100000753667 [0,2,0,0,0,0|0,0,1]=3 2409 B17R1.13848 CCC(C)(C)NC(=O)[C@](C)(O)c1ccccc1 240690a_100000211385_100000753667 [0,2,0,0,0,0|1,0,1]=4 2410 B17R1.16180 CC(C)C(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_200160471154_100000684486 [0,2,0,0,0,0|1,0,1]=4 2411 B17R1.183790 CC(C)(CO)NC(=O)C(CO)c1ccccc1 240690a_100000210608_100011218805 [0,2,0,0,0,0|0,0,1]=3 2412 B17R1.183790 CCC(C(=O)NC(C)(C)CO)c1ccccc1 240690a_100000210608_100000211302 [0,2,0,0,0,0|1,0,1]=4 2413 B17R1.183790 CCC(C(=O)NC(C)(C)CO)c1ccccc1 527a_100020618417_100000211302 [0,2,0,0,0,0|1,0,1]=4 2414 B17R1.183790 CCC(C)(C)NC(=O)C(CO)c1ccccc1 240690a_100000211385_100011218805 [0,2,0,0,0,0|1,0,1]=4 2415 B17R1.183790 CCC(C)(C)NC(=O)[C@H](OC)c1ccccc1 11a_100000211385_100000698336 [0,2,0,0,0,0|1,0,1]=4 2416 B17R1.183790 CCC(C)(C)NC(=O)[C@H](OC)c1ccccc1 1626a_100000211385_100000698336 [0,2,0,0,0,0|1,0,1]=4 2417 B17R1.183790 CCC(C)(C)NC(=O)[C@H](OC)c1ccccc1 240690a_100000211385_100000698336 [0,2,0,0,0,0|1,0,1]=4 2418 B17R1.183790 CCC(C)(C)NC(=O)[C@H](OC)c1ccccc1 527a_100000211385_100000698336 [0,2,0,0,0,0|1,0,1]=4 2419 B17R1.183790 CO[C@@H](C(=O)NC(C)(C)CO)c1ccccc1 240690a_100000210608_100000698336 [0,2,0,0,0,0|0,0,1]=3 2420 B17R1.183790 CO[C@@H](C(=O)NC(C)(C)CO)c1ccccc1 527a_100020618417_100000698336 [0,2,0,0,0,0|0,0,1]=3 2421 B17R1.18904 C=CCC(C)(CC)OCC(O)c1ccccc1 7a_200011216962_100000185958 [0,2,0,0,0,0|2,0,0]=4 2422 B17R1.18904 C=CCC(C)(CC)OC[C@@H](O)c1ccccc1 7a_200011216962_100011933945 [0,2,0,0,0,0|2,0,0]=4 2423 B17R1.18904 CCCC(C)(CC)OCC(O)c1ccccc1 7a_200011215934_100000185958 [0,2,0,0,0,0|2,0,0]=4 2424 B17R1.18904 CCCC(C)(CC)OC[C@@H](O)c1ccccc1 7a_200011215934_100011933945 [0,2,0,0,0,0|2,0,0]=4 2425 B17R1.18904 CCCC(C)(CC)SCC(O)c1ccccc1 62a_100000185958_200000040151 [0,2,0,0,0,0|2,0,0]=4 2426 B17R1.18904 CCCC(C)(CC)SCC(O)c1ccccc1 62a_200000040151_100000185958 [0,2,0,0,0,0|2,0,0]=4 2427 B17R1.18904 CCCC(C)(CC)SC[C@@H](O)c1ccccc1 62a_100011933945_200000040151 [0,2,0,0,0,0|2,0,0]=4 2428 B17R1.18904 CCCC(C)(CC)SC[C@@H](O)c1ccccc1 62a_200000040151_100011933945 [0,2,0,0,0,0|2,0,0]=4 2429 B17R1.19554 C#CC(CC)(CC)NCC(O)c1ccccc1 2230a_100102564785_100000185958 [0,2,0,0,0,0|1,0,1]=4 2430 B17R1.19554 C#CC(CC)(CC)NC[C@@H](O)c1ccccc1 2230a_100102564785_100011933945 [0,2,0,0,0,0|1,0,1]=4 2431 B17R1.19554 CCC(C#N)(CC)NCC(O)c1ccccc1 2230a_100000746712_100000185958 [0,2,0,0,0,0|1,0,1]=4 2432 B17R1.19554 CCC(C#N)(CC)NC[C@@H](O)c1ccccc1 2230a_100000746712_100011933945 [0,2,0,0,0,0|1,0,1]=4 2433 B17R1.19554 CCC(CC)(CC)NCC(C)c1ccccc1 2230a_100000760206_100000756946 [0,2,0,0,0,0|2,0,0]=4 2434 B17R1.19554 CCC(CC)(CC)NCC(C)c1ccccc1 270004a_100000760206_100000212034 [0,2,0,0,0,0|2,0,0]=4 2435 B17R1.19554 CCC(CC)(CC)NCC(O)c1ccccc1 2230a_100000760206_100000185958 [0,2,0,0,0,0|1,0,0]=3 2436 B17R1.19554 CCC(CC)(CC)NC[C@@H](O)c1ccccc1 2230a_100000760206_100011933945 [0,2,0,0,0,0|1,0,0]=3 2437 B17R1.19554 CCC(CC)(CC)OCC(O)c1ccccc1 7a_100000760225_100000185958 [0,2,0,0,0,0|2,0,0]=4 2438 B17R1.19554 CCC(CC)(CC)OC[C@@H](O)c1ccccc1 7a_100000760225_100011933945 [0,2,0,0,0,0|2,0,0]=4 2439 B17R1.19554 CCC(CC)(CC)SCC(O)c1ccccc1 62a_100000185958_200010884430 [0,2,0,0,0,0|2,0,0]=4 2440 B17R1.19554 CCC(CC)(CC)SCC(O)c1ccccc1 62a_200010884430_100000185958 [0,2,0,0,0,0|2,0,0]=4 2441 B17R1.19554 CCC(CC)(CC)SC[C@@H](O)c1ccccc1 62a_100011933945_200010884430 [0,2,0,0,0,0|2,0,0]=4 2442 B17R1.19554 CCC(CC)(CC)SC[C@@H](O)c1ccccc1 62a_200010884430_100011933945 [0,2,0,0,0,0|2,0,0]=4 2443 B17R1.41318 CCC(C)(CC)OCC(OC)c1ccccc1 7a_100011215540_100009817345 [0,2,0,0,0,0|2,0,0]=4 2444 B17R1.47671 CC(C)C(C)(C#N)NCC(O)c1ccccc1 2230a_100000184312_100000185958 [0,2,0,0,0,0|1,0,1]=4 2445 B17R1.47671 CC(C)C(C)(C#N)NC[C@@H](O)c1ccccc1 2230a_100000184312_100011933945 [0,2,0,0,0,0|1,0,1]=4 2446 B17R1.47671 CCC(C)(NCC(C)c1ccccc1)C(=O)O 269956a_100025756313_100000756946 [0,2,0,0,0,0|1,0,1]=4 2447 B17R1.47671 CCC(C)(NCC(O)c1ccccc1)C(=O)O 269956a_100025756313_100000185958 [0,2,0,0,0,0|0,0,1]=3 2448 B17R1.47671 CCC(C)(NC[C@@H](O)c1ccccc1)C(=O)O 269956a_100025756313_100011933945 [0,2,0,0,0,0|0,0,1]=3 2449 B17R1.103549 CC(C)(NCC(C)(O)c1ccccc1)C(=O)N 2230a_100011660926_100000702505 [0,2,0,0,0,0|0,0,2]=4 2450 B17R1.110864 COCC(C)(C)NC[Si](C)(C)c1ccccc1 2230a_100000752728_100000038972 [0,2,0,0,0,0|1,1,0]=4 2451 B17R1.77086 CC(C)(NCC(O)c1ccccc1Br)C(=O)N 2230a_100011236429_100000702505 [0,2,0,0,0,0|0,0,2]=4 2452 B17R1.77086 CC(C)(NCC(O)c1ccccc1Cl)C(=O)N 2230a_200000759403_100000702505 [0,2,0,0,0,0|0,0,2]=4 2453 B17R1.77086 CC(C)(NCC(O)c1ccccc1Cl)C(=O)N 34a_200000759403_100000702505 [0,2,0,0,0,0|0,0,2]=4 2454 B17R1.115179 COCC(C)(C)NCC(=O)c1ccccc1C 2230a_100000752728_100000741374 [0,2,0,0,0,0|0,0,2]=4 2455 B17R1.121600 CC(C)(CO)CNC(CO)c1ccccc1Cl 34a_100138412506_100009813988 [0,2,0,0,0,0|2,0,0]=4 2456 B17R1.121600 CC(C)(CO)CN[C@@H](CO)c1ccccc1F 34a_100009818778_100009813988 [0,2,0,0,0,0|2,0,0]=4 2457 B17R1.121600 CC(C)(CO)CN[C@H](CO)c1ccccc1Br 34a_100161155918_100009813988 [0,2,0,0,0,0|2,0,0]=4 2458 B17R1.300037 CC(C)(CO)NCC(=O)c1c(cccc1Cl)Cl 2230a_100000210608_100012340516 [0,2,0,0,0,0|0,0,2]=4 2459 B17R1.300037 CC(C)(CO)NCC(=O)c1c(cccc1Cl)F 2230a_100000210608_100011219195 [0,2,0,0,0,0|0,0,2]=4 2460 B17R1.16668 CC(C)(C)C(C)(C)OCC(O)c1ccccc1 7a_100000181956_100000185958 [0,2,0,0,0,0|2,0,0]=4 2461 B17R1.16668 CC(C)(C)C(C)(C)OC[C@@H](O)c1ccccc1 7a_100000181956_100011933945 [0,2,0,0,0,0|2,0,0]=4 2462 B17R1.19729 CCC(CNC(C)(C)C(C)C)c1ccccc1 270004a_200160471154_100000753018 [0,2,0,0,0,0|2,0,0]=4 2463 B17R1.24649 CNC(=O)C(C)(C)NCC(O)c1ccccc1 2230a_100000210709_100000732697 [0,2,0,0,0,0|0,0,2]=4 2464 B17R1.24649 COC(=O)C(C)(C)NCC(C)c1ccccc1 2230a_100000701038_100000689032 [0,2,0,0,0,0|1,0,1]=4 2465 B17R1.24649 COC(=O)C(C)(C)NCC(O)c1ccccc1 2230a_100000210709_100000689032 [0,2,0,0,0,0|0,0,1]=3 2466 B17R1.24649 COC(=O)C(C)(C)NCC(O)c1ccccn1 2230a_100000691469_100000689032 [0,2,0,0,0,0|1,0,1]=4 2467 B17R1.24649 COC(=O)C(C)(C)NCC(O)c1cccnc1 2230a_100020605170_100000689032 [0,2,0,0,0,0|1,0,1]=4 2468 B17R1.24649 COC(=O)C(C)(C)OCC(O)c1ccccc1 34a_100011217581_100000185958 [0,2,0,0,0,0|1,0,1]=4 2469 B17R1.24649 COC(=O)C(C)(C)OCC(O)c1ccccc1 7a_100011217581_100000185958 [0,2,0,0,0,0|1,0,1]=4 2470 B17R1.24649 COC(=O)C(C)(C)OC[C@@H](O)c1ccccc1 34a_100011217581_100011933945 [0,2,0,0,0,0|1,0,1]=4 2471 B17R1.24649 COC(=O)C(C)(C)OC[C@@H](O)c1ccccc1 7a_100011217581_100011933945 [0,2,0,0,0,0|1,0,1]=4 2472 B17R1.24649 COC(=O)C(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000689032 [0,2,0,0,0,0|1,0,1]=4 2473 B17R1.24649 COC(=O)C(C)(C)SCC(O)c1ccccc1 62a_100000689032_100000185958 [0,2,0,0,0,0|1,0,1]=4 2474 B17R1.24649 COC(=O)C(C)(C)SC[C@@H](O)c1ccccc1 62a_100000689032_100011933945 [0,2,0,0,0,0|1,0,1]=4 2475 B17R1.24649 COC(=O)C(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000689032 [0,2,0,0,0,0|1,0,1]=4 2476 B17R1.24649 COC(=O)C(C)(F)NCC(O)c1ccccc1 2230a_100000210709_200009867631 [0,2,0,0,0,0|1,0,1]=4 2477 B17R1.9325 CC(C)(CCCBr)OCC(O)c1ccccc1 7a_100009888830_100000185958 [0,2,0,0,0,0|2,0,0]=4 2478 B17R1.9325 CC(C)(CCCBr)OC[C@@H](O)c1ccccc1 7a_100009888830_100011933945 [0,2,0,0,0,0|2,0,0]=4 2479 B17R1.9325 CCCCC(C)(C)OCC(O)c1ccccc1 7a_100011219641_100000185958 [0,2,0,0,0,0|2,0,0]=4 2480 B17R1.9325 CCCCC(C)(C)OC[C@@H](O)c1ccccc1 7a_100011219641_100011933945 [0,2,0,0,0,0|2,0,0]=4 2481 B17R1.26311 CC(=O)CC(C)(C)OCC(O)c1ccccc1 7a_100000210262_100000185958 [0,2,0,0,0,0|1,0,1]=4 2482 B17R1.26311 CC(=O)CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100000210262_100011933945 [0,2,0,0,0,0|1,0,1]=4 2483 B17R1.26311 CC(C)(CC(=O)N)NCC(O)c1ccccc1 2230a_100000763158_100000185958 [0,2,0,0,0,0|0,0,1]=3 2484 B17R1.26311 CC(C)(CC(=O)N)NC[C@@H](O)c1ccccc1 2230a_100000763158_100011933945 [0,2,0,0,0,0|0,0,1]=3 2485 B17R1.26311 CC(C)(CC(=O)O)NCC(=O)c1ccccc1 269956a_100000755897_100000211460 [0,2,0,0,0,0|0,0,2]=4 2486 B17R1.26311 CC(C)(CC(=O)O)NCC(O)c1ccccc1 269956a_100000755897_100000185958 [0,2,0,0,0,0|0,0,0]=2 2487 B17R1.26311 CC(C)(CC(=O)O)NCS(=O)c1ccccc1 269956a_100000755897_100000031784 [0,2,0,0,0,0|1,0,1]=4 2488 B17R1.26311 CC(C)(CC(=O)O)NC[C@@H](O)c1ccccc1 269956a_100000755897_100011933945 [0,2,0,0,0,0|0,0,0]=2 2489 B17R1.26311 CC(C)CC(C)(C)NCC(C)c1ccccc1 2230a_100011346068_100000756946 [0,2,0,0,0,0|2,0,0]=4 2490 B17R1.26311 CC(C)CC(C)(C)NCC(C)c1ccccc1 270004a_100011346068_100000212034 [0,2,0,0,0,0|2,0,0]=4 2491 B17R1.26311 CC(C)CC(C)(C)NCC(O)c1ccccc1 2230a_100011346068_100000185958 [0,2,0,0,0,0|1,0,0]=3 2492 B17R1.26311 CC(C)CC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100011346068_100011933945 [0,2,0,0,0,0|1,0,0]=3 2493 B17R1.26311 CC(CNC(C)(C)CC(=O)N)c1ccccc1 2230a_100000763158_100000756946 [0,2,0,0,0,0|1,0,1]=4 2494 B17R1.26311 CC(CNC(C)(C)CC(=O)O)c1ccccc1 269956a_100000755897_100000756946 [0,2,0,0,0,0|1,0,0]=3 2495 B17R1.26311 CC(CNC(C)(C)CN(C)C)c1ccccc1 2230a_100015183317_100000756946 [0,2,0,0,0,0|2,0,0]=4 2496 B17R1.26311 CN(C)CC(C)(C)NCC(O)c1ccccc1 2230a_100015183317_100000185958 [0,2,0,0,0,0|1,0,0]=3 2497 B17R1.26311 CN(C)CC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100015183317_100011933945 [0,2,0,0,0,0|1,0,0]=3 2498 B17R1.110869 CCC(CNC(C)(C)CCO)c1ccccc1 270004a_100000763138_100000753018 [0,2,0,0,0,0|1,0,0]=3 2499 B17R1.110869 CCC(CNC(C)(C)COC)c1ccccc1 270004a_100000752728_100000753018 [0,2,0,0,0,0|1,0,0]=3 2500 B17R1.110869 CCC(CNC(C)(C)CSC)c1ccccc1 270004a_100000759623_100000753018 [0,2,0,0,0,0|1,1,0]=4 2501 B17R1.31391 COCC(NCC(C)(C)CO)c1ccccc1 269862a_100020635058_100000765260 [0,2,0,0,0,0|2,0,0]=4 2502 B17R1.31391 COC[C@@H](NCC(C)(C)CO)c1ccccc1 34a_103619048568_100009813988 [0,2,0,0,0,0|2,0,0]=4 2503 B17R1.88938 C#CC(C)(C)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100000038118 [0,2,0,0,0,0|1,0,1]=4 2504 B17R1.88938 CC(C)(CO)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100009813988 [0,2,0,0,0,0|2,0,0]=4 2505 B17R1.88938 CCC(C)(C)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100000032637 [0,2,0,0,0,0|1,0,0]=3 2506 B17R1.88938 O=C(O)C(CNC(F)(F)CO)c1ccccc1 269956a_100000722792_100011217949 [0,2,0,0,0,0|2,0,0]=4 2507 B15R1.44130 C=Cc1cccc(c1)CNC(C)(C)CO 270004a_100000210608_100011218069 [0,0,1,1,0,0|1,0,1]=4 2508 B15R2.1040 CC(CN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000756946 [1,0,0,1,0,0|2,0,0]=4 2509 B15R2.1040 CC(CN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000756946 [1,0,0,1,0,0|2,0,0]=4 2510 B15R2.1040 CC(CN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000756946 [1,0,0,1,0,0|2,0,0]=4 2511 B15R2.1040 OC(CN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000185958 [1,0,0,1,0,0|1,0,0]=3 2512 B15R2.1040 OC(CN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000185958 [1,0,0,1,0,0|1,0,0]=3 2513 B15R2.1040 OC(CN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000185958 [1,0,0,1,0,0|1,0,0]=3 2514 B15R2.1040 O[C@H](CN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100011933945 [1,0,0,1,0,0|1,0,0]=3 2515 B15R2.1040 O[C@H](CN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100011933945 [1,0,0,1,0,0|1,0,0]=3 2516 B15R2.1040 O[C@H](CN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100011933945 [1,0,0,1,0,0|1,0,0]=3 2517 B15R2.1130 CC(CN1CCC1C)c2ccccc2 269982a_100000755817_100000756946 [1,0,0,1,0,0|2,0,0]=4 2518 B15R2.1130 CC(CN1CCC1C)c2ccccc2 34a_100000755817_100000756946 [1,0,0,1,0,0|2,0,0]=4 2519 B15R2.1130 CC1CCN1CC(O)c2ccccc2 34a_100000755817_100000185958 [1,0,0,1,0,0|1,0,0]=3 2520 B15R2.1130 CC1CCN1C[C@@H](O)c2ccccc2 34a_100000755817_100011933945 [1,0,0,1,0,0|1,0,0]=3 2521 B15R2.1596 C[C@H](CO)N1CC(C1)c2cccnc2 269982a_100015183634_100016084084 [1,0,0,1,0,0|2,0,0]=4 2522 B15R2.1596 C[C@H](CO)N1CC(C1)c2ccncc2 269982a_100015185986_100016084084 [1,0,0,1,0,0|2,0,0]=4 2523 B15R2.1621 CC(CO)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100012180447 [1,0,0,1,0,0|1,0,0]=3 2524 B15R2.1621 CC(CO)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100012180447 [1,0,0,1,0,0|1,0,0]=3 2525 B15R2.1621 CCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000758301 [1,0,0,1,0,0|2,0,0]=4 2526 B15R2.1621 CCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215416 [1,0,0,1,0,0|2,0,0]=4 2527 B15R2.16439 CC(CNC1CCC1)c2ccccc2 2230a_100000749019_100000756946 [1,0,0,1,0,0|2,0,0]=4 2528 B15R2.16439 CC(CNC1CCC1)c2ccccc2 270004a_100000701038_100000241760 [1,0,0,1,0,0|2,0,0]=4 2529 B15R2.16439 CC(CNC1CCC1)c2ccccc2 34a_100000701038_100000749161 [1,0,0,1,0,0|2,0,0]=4 2530 B15R2.16439 CC(CNC1CCC1)c2ccccc2 34a_100000749019_100000756946 [1,0,0,1,0,0|2,0,0]=4 2531 B15R2.16439 CC(CNC1COC1)c2ccccc2 2230a_100016991112_100000756946 [1,0,0,1,0,0|1,0,0]=3 2532 B15R2.16439 CC(CNC1COC1)c2ccccc2 270004a_100016991112_100000212034 [1,0,0,1,0,0|1,0,0]=3 2533 B15R2.16439 CC(CNC1COC1)c2ccccc2 34a_100000701038_100009818527 [1,0,0,1,0,0|1,0,0]=3 2534 B15R2.16439 CC(CNC1CSC1)c2ccccc2 270004a_100016994217_100000212034 [1,0,0,1,0,0|1,1,0]=4 2535 B15R2.16439 CC(COC1COC1)c2ccccc2 34a_100011215166_100009818527 [1,0,0,1,0,0|2,0,0]=4 2536 B15R2.16439 CC(COC1COC1)c2ccccc2 7a_100011215166_100009818527 [1,0,0,1,0,0|2,0,0]=4 2537 B15R2.16439 CC(CSC1COC1)c2ccccc2 62a_100000756946_100009818527 [1,0,0,1,0,0|2,0,0]=4 2538 B15R2.16439 N[C@H](COC1COC1)c2ccccc2 34a_100000751927_100009818527 [1,0,0,1,0,0|2,0,0]=4 2539 B15R2.16439 OC(CNC1CCC1)c2ccccc2 2230a_100000749019_100000185958 [1,0,0,1,0,0|1,0,0]=3 2540 B15R2.16439 OC(CNC1CCC1)c2ccccc2 270004a_100000210709_100000241760 [1,0,0,1,0,0|1,0,0]=3 2541 B15R2.16439 OC(CNC1CCC1)c2ccccc2 34a_100000749019_100000185958 [1,0,0,1,0,0|1,0,0]=3 2542 B15R2.16439 OC(CNC1CCC1)c2ccccn2 270004a_100000691469_100000241760 [1,0,0,1,0,0|2,0,0]=4 2543 B15R2.16439 OC(CNC1CCC1)c2cccnc2 270004a_100020605170_100000241760 [1,0,0,1,0,0|2,0,0]=4 2544 B15R2.16439 OC(CNC1COC1)c2ccccc2 2230a_100016991112_100000185958 [1,0,0,1,0,0|0,0,0]=2 2545 B15R2.16439 OC(COC1CCC1)c2ccccc2 34a_100000748187_100000185958 [1,0,0,1,0,0|2,0,0]=4 2546 B15R2.16439 OC(COC1CSC1)c2ccccc2 7a_100000072292_100000185958 [1,0,0,1,0,0|1,1,0]=4 2547 B15R2.16439 OC(CSC1CCC1)c2ccccc2 62a_100000185958_100000749161 [1,0,0,1,0,0|2,0,0]=4 2548 B15R2.16439 OC(CSC1COC1)c2ccccc2 62a_100000185958_100009818527 [1,0,0,1,0,0|1,0,0]=3 2549 B15R2.16439 O[C@H](CNC1CCC1)c2ccccc2 2230a_100000749019_100011933945 [1,0,0,1,0,0|1,0,0]=3 2550 B15R2.16439 O[C@H](CNC1CCC1)c2ccccc2 34a_100000749019_100011933945 [1,0,0,1,0,0|1,0,0]=3 2551 B15R2.16439 O[C@H](CNC1COC1)c2ccccc2 2230a_100016991112_100011933945 [1,0,0,1,0,0|0,0,0]=2 2552 B15R2.16439 O[C@H](COC1CCC1)c2ccccc2 34a_100000748187_100011933945 [1,0,0,1,0,0|2,0,0]=4 2553 B15R2.16439 O[C@H](COC1CSC1)c2ccccc2 7a_100000072292_100011933945 [1,0,0,1,0,0|1,1,0]=4 2554 B15R2.16439 O[C@H](CSC1CCC1)c2ccccc2 62a_100011933945_100000749161 [1,0,0,1,0,0|2,0,0]=4 2555 B15R2.16439 O[C@H](CSC1COC1)c2ccccc2 62a_100011933945_100009818527 [1,0,0,1,0,0|1,0,0]=3 2556 B15R2.24496 CC(CNC1(CC1)C)c2ccccc2 2230a_100000757604_100000756946 [1,0,0,1,0,0|2,0,0]=4 2557 B15R2.24496 CC1(CC1)NCC(O)c2ccccc2 2230a_100000757604_100000185958 [1,0,0,1,0,0|1,0,0]=3 2558 B15R2.24496 CC1(CC1)NC[C@@H](O)c2ccccc2 2230a_100000757604_100011933945 [1,0,0,1,0,0|1,0,0]=3 2559 B15R2.24496 CC1(CC1)OCC(O)c2ccccc2 7a_100011725673_100000185958 [1,0,0,1,0,0|2,0,0]=4 2560 B15R2.24496 CC1(CC1)OC[C@@H](O)c2ccccc2 7a_100011725673_100011933945 [1,0,0,1,0,0|2,0,0]=4 2561 B15R2.79185 CC(CO)OCC1Cc2c1cccc2 34a_100012476685_100012180447 [1,0,0,1,0,0|2,0,0]=4 2562 B15R2.79185 CC(CO)OCC1Cc2c1cccc2 7a_100012476685_100012180447 [1,0,0,1,0,0|2,0,0]=4 2563 B15R2.5142 CC1(CN(C1)Cc2ccccc2)CO 2230a_100015203900_100015291786 [1,0,0,1,0,0|2,0,0]=4 2564 B15R2.5142 CC1(CN(C1)Cc2ccccc2)CO 269982a_100015203900_100000211182 [1,0,0,1,0,0|2,0,0]=4 2565 B15R2.5142 CC1(CN(C1)Cc2ccccc2)CO 270004a_100015203900_100015611070 [1,0,0,1,0,0|2,0,0]=4 2566 B15R2.5228 C#CC1(CC1)NCCc2ccccc2 34a_100020639468_100000765856 [1,0,0,1,0,0|1,0,1]=4 2567 B15R2.5228 CCC1(CC1)NCCc2ccccc2 2230a_100000732774_100000765856 [1,0,0,1,0,0|1,0,0]=3 2568 B15R2.5228 CCC1(CC1)NCCc2ccccn2 2230a_100000732774_100015183660 [1,0,0,1,0,0|2,0,0]=4 2569 B15R2.5228 CCC1(CC1)NCCc2cccnc2 2230a_100000732774_200011713674 [1,0,0,1,0,0|2,0,0]=4 2570 B15R2.5228 CCC1(CC1)NCCc2ccncc2 2230a_100000732774_100000723409 [1,0,0,1,0,0|2,0,0]=4 2571 B15R2.5228 CCC1(CC1)NCSc2ccccc2 2230a_100000732774_100011218342 [1,0,0,1,0,0|2,0,0]=4 2572 B15R2.5228 FCC1(CC1)NCCc2ccccc2 2230a_100000054953_100000765856 [1,0,0,1,0,0|1,0,0]=3 2573 B15R2.5228 FCC1(CC1)NCCc2ccccc2 34a_100000054953_100000765856 [1,0,0,1,0,0|1,0,0]=3 2574 B15R2.5228 FCC1(CC1)NCCc2ccccn2 2230a_100000054953_100015183660 [1,0,0,1,0,0|2,0,0]=4 2575 B15R2.5228 FCC1(CC1)NCCc2cccnc2 2230a_100000054953_200011713674 [1,0,0,1,0,0|2,0,0]=4 2576 B15R2.5228 FCC1(CC1)NCCc2ccncc2 2230a_100000054953_100000723409 [1,0,0,1,0,0|2,0,0]=4 2577 B15R2.5228 FCC1(CC1)NCSc2ccccc2 2230a_100000054953_100011218342 [1,0,0,1,0,0|2,0,0]=4 2578 B15R2.5228 N#CC1(CC1)NCCc2ccccc2 2230a_100000756336_100000765856 [1,0,0,1,0,0|1,0,1]=4 2579 B15R2.5228 N#CC1(CC1)NCCc2ccccc2 34a_100000106460_100009889376 [1,0,0,1,0,0|1,0,1]=4 2580 B15R2.5228 N#CC1(CC1)NCCc2ccccc2 34a_100000756336_100000765856 [1,0,0,1,0,0|1,0,1]=4 2581 B15R2.5228 OCC1(CC1)CNCc2ccccc2 207a_100000757901_100015611070 [1,0,0,1,0,0|2,0,0]=4 2582 B15R2.5228 OCC1(CC1)CNCc2ccccc2 2230a_100000757901_100015291786 [1,0,0,1,0,0|2,0,0]=4 2583 B15R2.5228 OCC1(CC1)CNCc2ccccc2 270004a_100000757901_100015611070 [1,0,0,1,0,0|2,0,0]=4 2584 B15R2.7507 CC1(CCC1)NCCc2ccccc2 2230a_100000692455_100000765856 [1,0,0,1,0,0|1,0,0]=3 2585 B15R2.7507 CC1(CCC1)NCCc2ccccc2 34a_100000692455_100000765856 [1,0,0,1,0,0|1,0,0]=3 2586 B15R2.7507 CC1(CCC1)NCCc2ccccn2 2230a_100000692455_100015183660 [1,0,0,1,0,0|2,0,0]=4 2587 B15R2.7507 CC1(CCC1)NCCc2cccnc2 2230a_100000692455_200011713674 [1,0,0,1,0,0|2,0,0]=4 2588 B15R2.7507 CC1(CCC1)NCCc2ccncc2 2230a_100000692455_100000723409 [1,0,0,1,0,0|2,0,0]=4 2589 B15R2.7507 CC1(CCC1)NCSc2ccccc2 2230a_100000692455_100011218342 [1,0,0,1,0,0|2,0,0]=4 2590 B15R2.7507 CC1(CCC1)OCCc2ccccc2 34a_100000759064_100000765856 [1,0,0,1,0,0|2,0,0]=4 2591 B15R2.7507 CC1(CCC1)OCCc2ccccc2 7a_100000759064_100000765856 [1,0,0,1,0,0|2,0,0]=4 2592 B15R2.7507 CC1(COC1)CNCc2ccccc2 207a_100020631278_100015611070 [1,0,0,1,0,0|2,0,0]=4 2593 B15R2.7507 CC1(COC1)CNCc2ccccc2 2230a_100015324214_100000066812 [1,0,0,1,0,0|2,0,0]=4 2594 B15R2.7507 CC1(COC1)CNCc2ccccc2 2230a_100020631278_100015291786 [1,0,0,1,0,0|2,0,0]=4 2595 B15R2.7507 CC1(COC1)CNCc2ccccc2 269862a_100015324214_100000050806 [1,0,0,1,0,0|2,0,0]=4 2596 B15R2.7507 CC1(COC1)CNCc2ccccc2 270004a_100020631278_100015611070 [1,0,0,1,0,0|2,0,0]=4 2597 B15R2.7507 CC1(COC1)CNCc2ccccc2 34a_100015324214_100009817586 [1,0,0,1,0,0|2,0,0]=4 2598 B15R2.7507 CC1(COC1)COCc2ccccc2 34a_100000210790_100009817586 [1,0,0,1,0,0|2,0,0]=4 2599 B15R2.7507 CC1(COC1)COCc2ccccc2 7a_100000210790_100009817586 [1,0,0,1,0,0|2,0,0]=4 2600 B15R2.7507 CC1(COC1)CSCc2ccccc2 62a_100000211182_100009817586 [1,0,0,1,0,0|2,0,0]=4 2601 B15R2.7507 CC1(COC1)CSCc2ccccc2 62a_100009817586_100015291786 [1,0,0,1,0,0|2,0,0]=4 2602 B15R2.7507 CC1(COC1)NCCc2ccccc2 2230a_100000732644_100000765856 [1,0,0,1,0,0|0,0,0]=2 2603 B15R2.7507 CC1(COC1)NCCc2ccccn2 2230a_100000732644_100015183660 [1,0,0,1,0,0|1,0,0]=3 2604 B15R2.7507 CC1(COC1)NCCc2cccnc2 2230a_100000732644_200011713674 [1,0,0,1,0,0|1,0,0]=3 2605 B15R2.7507 CC1(COC1)NCCc2ccncc2 2230a_100000732644_100000723409 [1,0,0,1,0,0|1,0,0]=3 2606 B15R2.7507 CC1(COC1)NCSc2ccccc2 2230a_100000732644_100011218342 [1,0,0,1,0,0|1,0,0]=3 2607 B15R2.7507 CC1(CSC1)OCCc2ccccc2 7a_100016018533_100000765856 [1,0,0,1,0,0|1,1,0]=4 2608 B15R2.59561 CC(C)(CCl)OC1Cc2c1cccc2 7a_100000764493_100009813401 [1,0,0,1,0,0|2,0,0]=4 2609 B15R2.59561 CCC(C)(C)OC1Cc2c1cccc2 7a_100000210230_100009813401 [1,0,0,1,0,0|2,0,0]=4 2610 B15R2.59561 CCC(C)(C)SC1Cc2c1cccc2 62a_100000032637_100009813401 [1,0,0,1,0,0|2,0,0]=4 2611 B15R2.59561 CCC(C)(C)SC1Cc2c1cccc2 62a_100009813401_100000032637 [1,0,0,1,0,0|2,0,0]=4 2612 B15R2.4439 CC(C)(C)N1CC(C1)c2cccnc2 269982a_100015183634_100000210625 [1,0,0,1,0,0|2,0,0]=4 2613 B15R2.4439 CC(C)(C)N1CC(C1)c2ccncc2 269982a_100015185986_100000210625 [1,0,0,1,0,0|2,0,0]=4 2614 B15R2.4444 CC(C)(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210625 [1,0,0,1,0,0|1,0,0]=3 2615 B15R2.109405 CC(C)(C)OCC1Cc2c1cccc2 34a_100012476685_100000210625 [1,0,0,1,0,0|2,0,0]=4 2616 B15R2.5216 CC(NC1(CC1)CF)c2ccccc2 2230a_100000054953_100000230085 [0,0,0,1,1,0|2,0,0]=4 2617 B15R2.5216 CC(NC1(CC1)CF)c2ccccc2 34a_100000054953_100000211855 [0,0,0,1,1,0|2,0,0]=4 2618 B15R2.5216 CCC1(CC1)NC(C)c2ccccc2 2230a_100000732774_100000230085 [0,0,0,1,1,0|2,0,0]=4 2619 B15R2.5216 O=C(NC1(CC1)CO)c2ccccc2 240690a_100000692850_100000185807 [0,0,0,1,1,0|0,0,2]=4 2620 B15R2.5216 O=C(NC1(CC1)CO)c2ccccc2 527a_100000692850_100000185807 [0,0,0,1,1,0|0,0,2]=4 2621 B15R2.16456 CC(NC1(CCC1)C)c2ccccc2 2230a_100000692455_100000230085 [0,0,0,1,1,0|2,0,0]=4 2622 B15R2.16456 CC(NC1(CCC1)C)c2ccccc2 34a_100000692455_100000211855 [0,0,0,1,1,0|2,0,0]=4 2623 B15R2.16456 CC(NC1(COC1)C)c2ccccc2 2230a_100000732644_100000230085 [0,0,0,1,1,0|1,0,0]=3 2624 B15R2.16456 CC1(COC1)CC(=O)c2ccccc2 1458a_100000185807_100000066812 [0,0,0,1,1,0|0,0,2]=4 2625 B15R2.16456 CC1(COC1)NC(=O)c2ccccc2 11a_100000732644_100000185807 [0,0,0,1,1,0|0,0,2]=4 2626 B15R2.16456 CC1(COC1)NC(=O)c2ccccc2 1626a_100000732644_100000185807 [0,0,0,1,1,0|0,0,2]=4 2627 B15R2.16456 CC1(COC1)NC(=O)c2ccccc2 527a_100000732644_100000185807 [0,0,0,1,1,0|0,0,2]=4 2628 B15R2.16456 CN(CC1(COC1)C)c2ccccc2 2230a_100000210012_100000066812 [0,0,0,1,1,0|2,0,0]=4 2629 B15R2.16456 CN(CC1(COC1)C)c2ccccc2 34a_100000210012_100009817586 [0,0,0,1,1,0|2,0,0]=4 2630 B17R2.97 CCC(C)(C)N1CCC(C1)c2ccccc2 269982a_100000747531_100000032637 [0,0,0,1,0,1|2,0,0]=4 2631 B17R2.4752 CC(C)(CO)NC1CC(C1)c2ccccc2 270004a_100000210608_100000741317 [0,0,0,1,0,1|1,0,0]=3 2632 B17R2.4752 CCC(C)(C)NC1CC(C1)c2ccccc2 270004a_100000211385_100000741317 [0,0,0,1,0,1|2,0,0]=4 2633 B17R2.4757 CC(C)(CO)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009813988 [0,0,0,1,0,1|1,0,0]=3 2634 B17R2.4757 CCC(C)(C)OCC1OC1c2ccccc2 7a_100000032844_100000210677 [0,0,0,1,0,1|2,0,0]=4 2635 B17R2.12920 C#CC1(CC1)NCC[C@@H](O)c2ccccc2 34a_100020639468_100000729684 [0,0,0,1,0,1|1,0,1]=4 2636 B17R2.12920 CC(CCNC1(CC1)CO)c2ccccc2 270004a_100000692850_100000189432 [0,0,0,1,0,1|1,0,0]=3 2637 B17R2.12920 CC(CNCC1(CC1)CO)c2ccccc2 2230a_100000757901_100000756946 [0,0,0,1,0,1|1,0,0]=3 2638 B17R2.12920 CC(CNCC1(CC1)CO)c2ccccc2 270004a_100000757901_100000212034 [0,0,0,1,0,1|1,0,0]=3 2639 B17R2.12920 CCC1(CC1)NCC[C@@H](O)c2ccccc2 2230a_100000732774_100000729684 [0,0,0,1,0,1|1,0,0]=3 2640 B17R2.12920 N#CC1(CC1)CNCC(O)c2ccccc2 2230a_100000210709_100000695377 [0,0,0,1,0,1|1,0,1]=4 2641 B17R2.12920 N#CC1(CC1)CNCC(O)c2ccccc2 2230a_100000725504_100000185958 [0,0,0,1,0,1|1,0,1]=4 2642 B17R2.12920 N#CC1(CC1)CNC[C@@H](O)c2ccccc2 2230a_100000725504_100011933945 [0,0,0,1,0,1|1,0,1]=4 2643 B17R2.12920 N#CC1(CC1)NCC[C@@H](O)c2ccccc2 2230a_100000756336_100000729684 [0,0,0,1,0,1|1,0,1]=4 2644 B17R2.12920 N#CC1(CC1)NCC[C@@H](O)c2ccccc2 34a_100000756336_100000729684 [0,0,0,1,0,1|1,0,1]=4 2645 B17R2.12920 OCC1(CC1)CNCC(O)c2ccccc2 2230a_100000757901_100000185958 [0,0,0,1,0,1|0,0,0]=2 2646 B17R2.12920 OCC1(CC1)CNC[C@@H](O)c2ccccc2 2230a_100000757901_100011933945 [0,0,0,1,0,1|0,0,0]=2 2647 B17R2.12920 O[C@H](CCNC1(CC1)CF)c2ccccc2 2230a_100000054953_100000729684 [0,0,0,1,0,1|1,0,0]=3 2648 B17R2.12920 O[C@H](CCNC1(CC1)CF)c2ccccc2 34a_100000054953_100000729684 [0,0,0,1,0,1|1,0,0]=3 2649 B17R2.13043 CC(CN1CC(C1)(C)CO)c2ccccc2 2230a_100015203900_100000756946 [0,0,0,1,0,1|1,0,0]=3 2650 B17R2.13043 CC(CN1CC(C1)(C)CO)c2ccccc2 269982a_100015203900_100000756946 [0,0,0,1,0,1|1,0,0]=3 2651 B17R2.13043 CC(CN1CC(C1)(C)CO)c2ccccc2 270004a_100015203900_100000212034 [0,0,0,1,0,1|1,0,0]=3 2652 B17R2.13043 CC1(CN(C1)CC(=O)c2ccccc2)CO 269982a_100015203900_100000211460 [0,0,0,1,0,1|0,0,2]=4 2653 B17R2.13043 CC1(CN(C1)CC(O)c2ccccc2)C#N 2230a_100000725210_100000185958 [0,0,0,1,0,1|1,0,1]=4 2654 B17R2.13043 CC1(CN(C1)CC(O)c2ccccc2)CO 2230a_100015203900_100000185958 [0,0,0,1,0,1|0,0,0]=2 2655 B17R2.13043 CC1(CN(C1)CS(=O)c2ccccc2)CO 269982a_100015203900_100000031784 [0,0,0,1,0,1|1,0,1]=4 2656 B17R2.13043 CC1(CN(C1)C[C@@H](O)c2ccccc2)C#N 2230a_100000725210_100011933945 [0,0,0,1,0,1|1,0,1]=4 2657 B17R2.13043 CC1(CN(C1)C[C@@H](O)c2ccccc2)CO 2230a_100015203900_100011933945 [0,0,0,1,0,1|0,0,0]=2 2658 B17R2.13043 CCC1(CN(C1)CC(O)c2ccccc2)O 2230a_100015191684_100000185958 [0,0,0,1,0,1|2,0,0]=4 2659 B17R2.13043 CCC1(CN(C1)C[C@@H](O)c2ccccc2)O 2230a_100015191684_100011933945 [0,0,0,1,0,1|2,0,0]=4 2660 B17R2.13043 COC1(CN(C1)CC(O)c2ccccc2)C 2230a_100000695453_100000185958 [0,0,0,1,0,1|2,0,0]=4 2661 B17R2.13043 COC1(CN(C1)C[C@@H](O)c2ccccc2)C 2230a_100000695453_100011933945 [0,0,0,1,0,1|2,0,0]=4 2662 B17R2.35876 CC(C)(CO)NC1CC(=O)c2c1cccc2 2230a_100000210608_100010208147 [0,0,0,1,0,1|0,0,2]=4 2663 B17R2.35876 CC(C)(CO)NC1OC(=O)c2c1cccc2 2230a_100000210608_100009813457 [0,0,0,1,0,1|0,0,2]=4 2664 B17R2.45628 CC(CN1CCC(C1)(C)C)c2ccccc2 2230a_100000764714_100000756946 [0,0,0,1,0,1|2,0,0]=4 2665 B17R2.45628 CC(CN1CCC(C1)(C)C)c2ccccc2 269982a_100000764714_100000756946 [0,0,0,1,0,1|2,0,0]=4 2666 B17R2.45628 CC(CN1CCC(C1)(C)C)c2ccccc2 270004a_100000764714_100000212034 [0,0,0,1,0,1|2,0,0]=4 2667 B17R2.45628 CC1(CCN(C1)CC(O)c2ccccc2)C 2230a_100000764714_100000185958 [0,0,0,1,0,1|1,0,0]=3 2668 B17R2.45628 CC1(CCN(C1)CC(O)c2ccccc2)O 2230a_100000718628_100000185958 [0,0,0,1,0,1|2,0,0]=4 2669 B17R2.45628 CC1(CCN(C1)C[C@@H](O)c2ccccc2)C 2230a_100000764714_100011933945 [0,0,0,1,0,1|1,0,0]=3 2670 B17R2.45628 CC1(CCN(C1)C[C@@H](O)c2ccccc2)O 2230a_100000718628_100011933945 [0,0,0,1,0,1|2,0,0]=4 2671 B17R2.243387 CC(C)(CO)COCC1Cc2c1cccc2 34a_100012476685_100009813988 [0,0,0,1,0,1|2,0,0]=4 2672 B17R2.243387 CC(C)(CO)COCC1Cc2c1cccc2 7a_100012476685_100009813988 [0,0,0,1,0,1|2,0,0]=4 2673 B17R2.295060 CC(CCNC1(CCC1)C)c2ccccc2 270004a_100000692455_100000189432 [0,0,0,1,0,1|2,0,0]=4 2674 B17R2.295060 CC(CCNC1(COC1)C)c2ccccc2 270004a_100000732644_100000189432 [0,0,0,1,0,1|1,0,0]=3 2675 B17R2.295060 CC(CNCC1(CCC1)C)c2ccccc2 2230a_100000701038_100000726658 [0,0,0,1,0,1|2,0,0]=4 2676 B17R2.295060 CC(CNCC1(CCC1)C)c2ccccc2 2230a_100000706607_100000756946 [0,0,0,1,0,1|2,0,0]=4 2677 B17R2.295060 CC(CNCC1(CCC1)C)c2ccccc2 270004a_100000706607_100000212034 [0,0,0,1,0,1|2,0,0]=4 2678 B17R2.295060 CC(CNCC1(CCC1)C)c2ccccc2 34a_100000701038_100000726658 [0,0,0,1,0,1|2,0,0]=4 2679 B17R2.295060 CC(CNCC1(COC1)C)c2ccccc2 2230a_100000701038_100000066812 [0,0,0,1,0,1|1,0,0]=3 2680 B17R2.295060 CC(CNCC1(COC1)C)c2ccccc2 2230a_100020631278_100000756946 [0,0,0,1,0,1|1,0,0]=3 2681 B17R2.295060 CC(CNCC1(COC1)C)c2ccccc2 269862a_100000701038_100000050806 [0,0,0,1,0,1|1,0,0]=3 2682 B17R2.295060 CC(CNCC1(COC1)C)c2ccccc2 270004a_100020631278_100000212034 [0,0,0,1,0,1|1,0,0]=3 2683 B17R2.295060 CC(CNCC1(COC1)C)c2ccccc2 34a_100000701038_100009817586 [0,0,0,1,0,1|1,0,0]=3 2684 B17R2.295060 CC(CNCC1(COC1)O)c2ccccc2 2230a_100010264505_100000756946 [0,0,0,1,0,1|2,0,0]=4 2685 B17R2.295060 CC(CNCC1(COC1)O)c2ccccc2 270004a_100010264505_100000212034 [0,0,0,1,0,1|2,0,0]=4 2686 B17R2.295060 CC(COCC1(COC1)C)c2ccccc2 34a_100011215166_100009817586 [0,0,0,1,0,1|2,0,0]=4 2687 B17R2.295060 CC(COCC1(COC1)C)c2ccccc2 7a_100011215166_100009817586 [0,0,0,1,0,1|2,0,0]=4 2688 B17R2.295060 CC(CSCC1(COC1)C)c2ccccc2 62a_100000756946_100009817586 [0,0,0,1,0,1|2,0,0]=4 2689 B17R2.295060 CC(CSCC1(COC1)C)c2ccccc2 62a_100009817586_100000756946 [0,0,0,1,0,1|2,0,0]=4 2690 B17R2.295060 CC1(CCC1)CNCC(O)c2ccccc2 2230a_100000210709_100000726658 [0,0,0,1,0,1|1,0,0]=3 2691 B17R2.295060 CC1(CCC1)CNCC(O)c2ccccc2 2230a_100000706607_100000185958 [0,0,0,1,0,1|1,0,0]=3 2692 B17R2.295060 CC1(CCC1)CNCC(O)c2ccccn2 2230a_100000691469_100000726658 [0,0,0,1,0,1|2,0,0]=4 2693 B17R2.295060 CC1(CCC1)CNCC(O)c2cccnc2 2230a_100020605170_100000726658 [0,0,0,1,0,1|2,0,0]=4 2694 B17R2.295060 CC1(CCC1)CNC[C@@H](O)c2ccccc2 2230a_100000706607_100011933945 [0,0,0,1,0,1|1,0,0]=3 2695 B17R2.295060 CC1(CCC1)CSCC(O)c2ccccc2 62a_100000185958_100000726658 [0,0,0,1,0,1|2,0,0]=4 2696 B17R2.295060 CC1(CCC1)CSCC(O)c2ccccc2 62a_100000726658_100000185958 [0,0,0,1,0,1|2,0,0]=4 2697 B17R2.295060 CC1(CCC1)CSC[C@@H](O)c2ccccc2 62a_100000726658_100011933945 [0,0,0,1,0,1|2,0,0]=4 2698 B17R2.295060 CC1(CCC1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000726658 [0,0,0,1,0,1|2,0,0]=4 2699 B17R2.295060 CC1(CCC1)NCC[C@@H](O)c2ccccc2 2230a_100000692455_100000729684 [0,0,0,1,0,1|1,0,0]=3 2700 B17R2.295060 CC1(CCC1)NCC[C@@H](O)c2ccccc2 34a_100000692455_100000729684 [0,0,0,1,0,1|1,0,0]=3 2701 B17R2.295060 CC1(CCC1)OCC[C@@H](O)c2ccccc2 34a_100000759064_100000729684 [0,0,0,1,0,1|2,0,0]=4 2702 B17R2.295060 CC1(CCC1)OCC[C@@H](O)c2ccccc2 7a_100000759064_100000729684 [0,0,0,1,0,1|2,0,0]=4 2703 B17R2.295060 CC1(COC1)CNCC(O)c2ccccc2 2230a_100000210709_100000066812 [0,0,0,1,0,1|0,0,0]=2 2704 B17R2.295060 CC1(COC1)CNCC(O)c2ccccc2 2230a_100020631278_100000185958 [0,0,0,1,0,1|0,0,0]=2 2705 B17R2.295060 CC1(COC1)CNCC(O)c2ccccc2 269862a_100000210709_100000050806 [0,0,0,1,0,1|0,0,0]=2 2706 B17R2.295060 CC1(COC1)CNCC(O)c2ccccn2 2230a_100000691469_100000066812 [0,0,0,1,0,1|1,0,0]=3 2707 B17R2.295060 CC1(COC1)CNCC(O)c2ccccn2 269862a_100000691469_100000050806 [0,0,0,1,0,1|1,0,0]=3 2708 B17R2.295060 CC1(COC1)CNCC(O)c2cccnc2 2230a_100020605170_100000066812 [0,0,0,1,0,1|1,0,0]=3 2709 B17R2.295060 CC1(COC1)CNCC(O)c2cccnc2 269862a_100020605170_100000050806 [0,0,0,1,0,1|1,0,0]=3 2710 B17R2.295060 CC1(COC1)CNC[C@@H](O)c2ccccc2 2230a_100020631278_100011933945 [0,0,0,1,0,1|0,0,0]=2 2711 B17R2.295060 CC1(COC1)COC[C@@H](N)c2ccccc2 34a_100000751927_100009817586 [0,0,0,1,0,1|2,0,0]=4 2712 B17R2.295060 CC1(COC1)CSCC(O)c2ccccc2 62a_100000185958_100009817586 [0,0,0,1,0,1|1,0,0]=3 2713 B17R2.295060 CC1(COC1)CSCC(O)c2ccccc2 62a_100009817586_100000185958 [0,0,0,1,0,1|1,0,0]=3 2714 B17R2.295060 CC1(COC1)CSC[C@@H](O)c2ccccc2 62a_100009817586_100011933945 [0,0,0,1,0,1|1,0,0]=3 2715 B17R2.295060 CC1(COC1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100009817586 [0,0,0,1,0,1|1,0,0]=3 2716 B17R2.295060 CC1(COC1)NCCC(=O)c2ccccc2 2230a_100000732644_100000750707 [0,0,0,1,0,1|0,0,2]=4 2717 B17R2.295060 CC1(COC1)NCCS(=O)c2ccccc2 2230a_100000732644_100000740319 [0,0,0,1,0,1|1,0,1]=4 2718 B17R2.295060 CC1(COC1)NCC[C@@H](O)c2ccccc2 2230a_100000732644_100000729684 [0,0,0,1,0,1|0,0,0]=2 2719 B17R2.295060 CC1(CSC1)COCC(O)c2ccccc2 34a_100000732658_100000185958 [0,0,0,1,0,1|1,1,0]=4 2720 B17R2.295060 CC1(CSC1)COCC(O)c2ccccc2 7a_100000732658_100000185958 [0,0,0,1,0,1|1,1,0]=4 2721 B17R2.295060 CC1(CSC1)COC[C@@H](O)c2ccccc2 34a_100000732658_100011933945 [0,0,0,1,0,1|1,1,0]=4 2722 B17R2.295060 CC1(CSC1)COC[C@@H](O)c2ccccc2 7a_100000732658_100011933945 [0,0,0,1,0,1|1,1,0]=4 2723 B17R2.295060 CC1(CSC1)OCC[C@@H](O)c2ccccc2 7a_100016018533_100000729684 [0,0,0,1,0,1|1,1,0]=4 2724 B17R2.295060 OC(CNCC1(CCC1)O)c2ccccc2 2230a_100000752638_100000185958 [0,0,0,1,0,1|2,0,0]=4 2725 B17R2.295060 OC(CNCC1(COC1)O)c2ccccc2 2230a_100010264505_100000185958 [0,0,0,1,0,1|1,0,0]=3 2726 B17R2.295060 O[C@H](CNCC1(CCC1)O)c2ccccc2 2230a_100000752638_100011933945 [0,0,0,1,0,1|2,0,0]=4 2727 B17R2.295060 O[C@H](CNCC1(COC1)O)c2ccccc2 2230a_100010264505_100011933945 [0,0,0,1,0,1|1,0,0]=3 2728 B17R2.4766 C#CC(C)(C)NCC1Cc2ccccc2O1 34a_100015207006_100000038118 [0,0,0,1,0,1|1,0,1]=4 2729 B17R2.4766 CC(C)(C#N)NCC1Cc2ccccc2O1 34a_100015207006_100011162410 [0,0,0,1,0,1|1,0,1]=4 2730 B17R2.4766 CC(C)(CO)NCc1cc2ccccc2[nH]1 270004a_100000210608_100000051030 [0,0,0,1,0,1|1,0,1]=4 2731 B17R2.4766 CC(C)(CO)NCc1cc2ccccc2o1 207a_100000210608_100000229944 [0,0,0,1,0,1|0,0,1]=3 2732 B17R2.4766 CC(C)(CO)NCc1cc2ccccc2o1 270004a_100000210608_100000229944 [0,0,0,1,0,1|0,0,1]=3 2733 B17R2.4766 CC(C)(CO)NCc1cc2ccccc2s1 207a_100000210608_100000686906 [0,0,0,1,0,1|0,1,1]=4 2734 B17R2.4766 CC(C)(CO)NCc1cc2ccccc2s1 270004a_100000210608_100000686906 [0,0,0,1,0,1|0,1,1]=4 2735 B17R2.4766 CC(C)(CO)NCc1cc2cnccc2o1 207a_100000210608_100009860033 [0,0,0,1,0,1|1,0,1]=4 2736 B17R2.4766 CC(C)(CO)NCc1cc2cnccc2o1 270004a_100000210608_100009860033 [0,0,0,1,0,1|1,0,1]=4 2737 B17R2.4766 CC(C)(CO)NCc1cc2ncccc2o1 207a_100000210608_100000104172 [0,0,0,1,0,1|1,0,1]=4 2738 B17R2.4766 CC(C)(CO)NCc1cc2ncccc2o1 270004a_100000210608_100000104172 [0,0,0,1,0,1|1,0,1]=4 2739 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2[nH]1 207a_100000210608_100000185668 [0,0,0,1,0,1|1,0,1]=4 2740 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2[nH]1 2230a_100000210608_100000737899 [0,0,0,1,0,1|1,0,1]=4 2741 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2[nH]1 270004a_100000210608_100000185668 [0,0,0,1,0,1|1,0,1]=4 2742 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2o1 2230a_100000210608_100000195508 [0,0,0,1,0,1|0,0,1]=3 2743 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2s1 2230a_100000210608_100000766747 [0,0,0,1,0,1|0,1,1]=4 2744 B17R2.4766 CC(C)(CO)NCc1nc2ccccc2s1 270004a_100000210608_100011204187 [0,0,0,1,0,1|0,1,1]=4 2745 B17R2.4766 CC(C)(CO)NCc1nc2ncccc2o1 2230a_100000210608_100000696355 [0,0,0,1,0,1|1,0,1]=4 2746 B17R2.4766 CCC(C)(C)NCc1cc2ccccc2o1 207a_100000211385_100000229944 [0,0,0,1,0,1|1,0,1]=4 2747 B17R2.4766 CCC(C)(C)NCc1cc2ccccc2o1 270004a_100000211385_100000229944 [0,0,0,1,0,1|1,0,1]=4 2748 B17R2.4766 CCC(C)(C)NCc1nc2ccccc2o1 2230a_100000211385_100000195508 [0,0,0,1,0,1|1,0,1]=4 2749 B17R2.4816 CCC(C)(C)N1CC(C1)Oc2ccccc2 269982a_100000751016_100000032637 [0,0,0,1,0,1|2,0,0]=4 2750 B17R2.13152 C#CC1(CC1)NC[C@@H](O)Cc2ccccc2 34a_100020639468_100000729385 [0,0,0,1,0,1|1,0,1]=4 2751 B17R2.13152 CCC1(CC1)NC[C@@H](O)Cc2ccccc2 2230a_100000732774_100000729385 [0,0,0,1,0,1|1,0,0]=3 2752 B17R2.13152 N#CC1(CC1)NC[C@@H](O)Cc2ccccc2 2230a_100000756336_100000729385 [0,0,0,1,0,1|1,0,1]=4 2753 B17R2.13152 N#CC1(CC1)NC[C@@H](O)Cc2ccccc2 34a_100000756336_100000729385 [0,0,0,1,0,1|1,0,1]=4 2754 B17R2.13152 O[C@H](CNC1(CC1)CF)Cc2ccccc2 2230a_100000054953_100000729385 [0,0,0,1,0,1|1,0,0]=3 2755 B17R2.13152 O[C@H](CNC1(CC1)CF)Cc2ccccc2 34a_100000054953_100000729385 [0,0,0,1,0,1|1,0,0]=3 2756 B17R2.76773 CC1(CCC1)NC[C@@H](O)Cc2ccccc2 2230a_100000692455_100000729385 [0,0,0,1,0,1|1,0,0]=3 2757 B17R2.76773 CC1(CCC1)NC[C@@H](O)Cc2ccccc2 34a_100000692455_100000729385 [0,0,0,1,0,1|1,0,0]=3 2758 B17R2.76773 CC1(CCC1)OC[C@@H](O)Cc2ccccc2 34a_100000759064_100000729385 [0,0,0,1,0,1|2,0,0]=4 2759 B17R2.76773 CC1(CCC1)OC[C@@H](O)Cc2ccccc2 7a_100000759064_100000729385 [0,0,0,1,0,1|2,0,0]=4 2760 B17R2.76773 CC1(COC1)NCC(=O)Cc2ccccc2 2230a_100000732644_100000233483 [0,0,0,1,0,1|0,0,2]=4 2761 B17R2.76773 CC1(COC1)NCC(=O)Nc2ccccc2 2230a_100000732644_100000182850 [0,0,0,1,0,1|0,0,2]=4 2762 B17R2.76773 CC1(COC1)NCC(=O)Oc2ccccc2 2230a_100000732644_100009813826 [0,0,0,1,0,1|0,0,2]=4 2763 B17R2.76773 CC1(COC1)NC[C@@H](O)Cc2ccccc2 2230a_100000732644_100000729385 [0,0,0,1,0,1|0,0,0]=2 2764 B17R2.76773 CC1(CSC1)OC[C@@H](O)Cc2ccccc2 7a_100016018533_100000729385 [0,0,0,1,0,1|1,1,0]=4 2765 B17R2.56738 CC1(CCC1)NCC(O)c2ccc(cc2)Cl 2230a_100000692455_200011996143 [0,1,0,1,0,0|1,0,0]=3 2766 B17R2.56738 CC1(CCC1)NCC(O)c2ccc(cc2)Cl 34a_100000692455_200011996143 [0,1,0,1,0,0|1,0,0]=3 2767 B17R2.56738 CC1(CCC1)NC[C@H](O)c2ccc(cc2)F 2230a_100000692455_100000720402 [0,1,0,1,0,0|1,0,0]=3 2768 B17R2.56738 CC1(CCC1)NC[C@H](O)c2ccc(cc2)F 34a_100000692455_100000720402 [0,1,0,1,0,0|1,0,0]=3 2769 B17R2.56738 CC1(CCC1)OCC(O)c2ccc(cc2)Cl 34a_100000759064_200011996143 [0,1,0,1,0,0|2,0,0]=4 2770 B17R2.56738 CC1(CCC1)OCC(O)c2ccc(cc2)Cl 7a_100000759064_200011996143 [0,1,0,1,0,0|2,0,0]=4 2771 B17R2.56738 CC1(CCC1)OC[C@H](O)c2ccc(cc2)F 34a_100000759064_100000720402 [0,1,0,1,0,0|2,0,0]=4 2772 B17R2.56738 CC1(CCC1)OC[C@H](O)c2ccc(cc2)F 7a_100000759064_100000720402 [0,1,0,1,0,0|2,0,0]=4 2773 B17R2.56738 CC1(COC1)NCC(O)c2ccc(cc2)Cl 2230a_100000732644_200011996143 [0,1,0,1,0,0|0,0,0]=2 2774 B17R2.56738 CC1(COC1)NC[C@H](O)c2ccc(cc2)F 2230a_100000732644_100000720402 [0,1,0,1,0,0|0,0,0]=2 2775 B17R2.56738 CC1(CSC1)OCC(O)c2ccc(cc2)Cl 7a_100016018533_200011996143 [0,1,0,1,0,0|1,1,0]=4 2776 B17R2.56738 CC1(CSC1)OC[C@H](O)c2ccc(cc2)F 7a_100016018533_100000720402 [0,1,0,1,0,0|1,1,0]=4 2777 B17R2.56738 Cc1ccc(cc1)C(=O)CNC2(COC2)C 2230a_100000732644_100000211441 [0,1,0,1,0,0|0,0,2]=4 2778 B17R2.110957 C#CC1(CC1)NCC(O)c2ccc(cc2)Cl 34a_100020639468_200011996143 [0,1,0,1,0,0|1,0,1]=4 2779 B17R2.110957 C#CC1(CC1)NC[C@H](O)c2ccc(cc2)F 34a_100020639468_100000720402 [0,1,0,1,0,0|1,0,1]=4 2780 B17R2.110957 CCC1(CC1)NCC(O)c2ccc(cc2)Cl 2230a_100000732774_200011996143 [0,1,0,1,0,0|1,0,0]=3 2781 B17R2.110957 CCC1(CC1)NC[C@H](O)c2ccc(cc2)F 2230a_100000732774_100000720402 [0,1,0,1,0,0|1,0,0]=3 2782 B17R2.110957 Cc1ccc(cc1)C(O)CNC2(CC2)C#N 34a_200020610344_100009889376 [0,1,0,1,0,0|1,0,1]=4 2783 B17R2.110957 N#CC1(CC1)NCC(O)c2ccc(cc2)Br 34a_100020626992_100009889376 [0,1,0,1,0,0|1,0,1]=4 2784 B17R2.110957 N#CC1(CC1)NCC(O)c2ccc(cc2)Cl 2230a_100000756336_200011996143 [0,1,0,1,0,0|1,0,1]=4 2785 B17R2.110957 N#CC1(CC1)NCC(O)c2ccc(cc2)Cl 34a_100000736658_100009889376 [0,1,0,1,0,0|1,0,1]=4 2786 B17R2.110957 N#CC1(CC1)NCC(O)c2ccc(cc2)Cl 34a_100000756336_200011996143 [0,1,0,1,0,0|1,0,1]=4 2787 B17R2.110957 N#CC1(CC1)NCC(O)c2ccc(cc2)O 34a_100000067596_100009889376 [0,1,0,1,0,0|1,0,1]=4 2788 B17R2.110957 N#CC1(CC1)NC[C@H](O)c2ccc(cc2)F 2230a_100000756336_100000720402 [0,1,0,1,0,0|1,0,1]=4 2789 B17R2.110957 N#CC1(CC1)NC[C@H](O)c2ccc(cc2)F 34a_100000756336_100000720402 [0,1,0,1,0,0|1,0,1]=4 2790 B17R2.110957 OC(CNC1(CC1)CF)c2ccc(cc2)Cl 2230a_100000054953_200011996143 [0,1,0,1,0,0|1,0,0]=3 2791 B17R2.110957 OC(CNC1(CC1)CF)c2ccc(cc2)Cl 34a_100000054953_200011996143 [0,1,0,1,0,0|1,0,0]=3 2792 B17R2.110957 O[C@@H](CNC1(CC1)CF)c2ccc(cc2)F 2230a_100000054953_100000720402 [0,1,0,1,0,0|1,0,0]=3 2793 B17R2.110957 O[C@@H](CNC1(CC1)CF)c2ccc(cc2)F 34a_100000054953_100000720402 [0,1,0,1,0,0|1,0,0]=3 2794 B17R2.13151 N#CC1(CC1)NCC(O)c2cccc(c2)O 34a_100020657549_100009889376 [0,1,0,1,0,0|1,0,1]=4 2795 B17R2.150384 CC1(COC1)NCC(=O)c2cccc(c2)Br 2230a_100000732644_100000212080 [0,1,0,1,0,0|0,0,2]=4 2796 B17R2.150384 CC1(COC1)NCC(=O)c2cccc(c2)Cl 2230a_100000732644_100000211444 [0,1,0,1,0,0|0,0,2]=4 2797 B17R2.150384 CC1(COC1)NCC(=O)c2cccc(c2)F 2230a_100000732644_100000215616 [0,1,0,1,0,0|0,0,2]=4 2798 B17R2.150384 Cc1cccc(c1)C(=O)CNC2(COC2)C 2230a_100000732644_100000739480 [0,1,0,1,0,0|0,0,2]=4 2799 B17R2.5730 CC(CN1CCCC1(C)C)c2ccccc2 2230a_100000761399_100000756946 [0,1,0,1,0,0|2,0,0]=4 2800 B17R2.5730 CC(CN1CCCC1(C)C)c2ccccc2 269982a_100000761399_100000756946 [0,1,0,1,0,0|2,0,0]=4 2801 B17R2.5730 CC(CN1CCCC1(C)C)c2ccccc2 270004a_100000761399_100000212034 [0,1,0,1,0,0|2,0,0]=4 2802 B17R2.5730 CC(CN1CCCC1(C)C)c2ccccc2 34a_100000761399_100000756946 [0,1,0,1,0,0|2,0,0]=4 2803 B17R2.5730 CC(CN1CCSC1(C)C)c2ccccc2 2230a_100011217261_100000756946 [0,1,0,1,0,0|2,0,0]=4 2804 B17R2.5730 CC(CN1CCSC1(C)C)c2ccccc2 269982a_100011217261_100000756946 [0,1,0,1,0,0|2,0,0]=4 2805 B17R2.5730 CC(CN1CCSC1(C)C)c2ccccc2 270004a_100011217261_100000212034 [0,1,0,1,0,0|2,0,0]=4 2806 B17R2.5730 CC(CN1CCSC1(C)C)c2ccccc2 34a_100011217261_100000756946 [0,1,0,1,0,0|2,0,0]=4 2807 B17R2.5730 CC(CN1COCC1(C)C)c2ccccc2 2230a_100000043020_100000756946 [0,1,0,1,0,0|1,0,0]=3 2808 B17R2.5730 CC(CN1COCC1(C)C)c2ccccc2 269982a_100000043020_100000756946 [0,1,0,1,0,0|1,0,0]=3 2809 B17R2.5730 CC(CN1COCC1(C)C)c2ccccc2 270004a_100000043020_100000212034 [0,1,0,1,0,0|1,0,0]=3 2810 B17R2.5730 CC1(CCCN1CC(O)c2ccccc2)C 2230a_100000761399_100000185958 [0,1,0,1,0,0|1,0,0]=3 2811 B17R2.5730 CC1(CCCN1CC(O)c2ccccc2)C 34a_100000761399_100000185958 [0,1,0,1,0,0|1,0,0]=3 2812 B17R2.5730 CC1(CCCN1C[C@@H](O)c2ccccc2)C 2230a_100000761399_100011933945 [0,1,0,1,0,0|1,0,0]=3 2813 B17R2.5730 CC1(CCCN1C[C@@H](O)c2ccccc2)C 34a_100000761399_100011933945 [0,1,0,1,0,0|1,0,0]=3 2814 B17R2.5730 CC1(COCN1CC(=O)c2ccccc2)C 269982a_100000043020_100000211460 [0,1,0,1,0,0|0,0,2]=4 2815 B17R2.5730 CC1(COCN1CC(O)c2ccccc2)C 2230a_100000043020_100000185958 [0,1,0,1,0,0|0,0,0]=2 2816 B17R2.5730 CC1(COCN1CS(=O)c2ccccc2)C 269982a_100000043020_100000031784 [0,1,0,1,0,0|1,0,1]=4 2817 B17R2.5730 CC1(COCN1C[C@@H](O)c2ccccc2)C 2230a_100000043020_100011933945 [0,1,0,1,0,0|0,0,0]=2 2818 B17R2.5730 CC1(SCCN1CC(O)c2ccccc2)C 2230a_100011217261_100000185958 [0,1,0,1,0,0|1,0,0]=3 2819 B17R2.5730 CC1(SCCN1CC(O)c2ccccc2)C 34a_100011217261_100000185958 [0,1,0,1,0,0|1,0,0]=3 2820 B17R2.5730 CC1(SCCN1C[C@@H](O)c2ccccc2)C 2230a_100011217261_100011933945 [0,1,0,1,0,0|1,0,0]=3 2821 B17R2.5730 CC1(SCCN1C[C@@H](O)c2ccccc2)C 34a_100011217261_100011933945 [0,1,0,1,0,0|1,0,0]=3 2822 B17R2.12913 CC(CC(=O)C1(CC1)CO)c2ccccc2 1458a_100012027107_100000756946 [0,1,0,1,0,0|2,0,0]=4 2823 B17R2.12913 O=C(CC(O)c1ccccc1)C2(CC2)CO 1458a_100012027107_100000185958 [0,1,0,1,0,0|1,0,0]=3 2824 B17R2.12913 O=C(C[C@@H](O)c1ccccc1)C2(CC2)CO 1458a_100012027107_100011933945 [0,1,0,1,0,0|1,0,0]=3 2825 B17R2.35794 CC(C)(C#N)N1CC(C1)(O)c2ccccc2 269982a_100000717221_100011162410 [0,1,0,1,0,0|1,0,1]=4 2826 B17R2.35794 CCC(C)(C)N1CC(C1)(O)c2ccccc2 269982a_100000717221_100000032637 [0,1,0,1,0,0|1,0,0]=3 2827 B17R2.36278 CCC(C)(C)N1Cc2ccccc2C(C1)C 269982a_100015190047_100000032637 [0,1,0,1,0,0|2,0,0]=4 2828 B17R2.145696 CC(CC(=O)C1(COC1)C)c2ccccc2 1458a_100000094709_100000756946 [0,1,0,1,0,0|2,0,0]=4 2829 B17R2.145696 CC1(CCC1)C(=O)CC(O)c2ccccc2 1458a_100000684636_100000185958 [0,1,0,1,0,0|2,0,0]=4 2830 B17R2.145696 CC1(CCC1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000684636_100011933945 [0,1,0,1,0,0|2,0,0]=4 2831 B17R2.145696 CC1(COC1)C(=O)CC(O)c2ccccc2 1458a_100000094709_100000185958 [0,1,0,1,0,0|1,0,0]=3 2832 B17R2.145696 CC1(COC1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000094709_100011933945 [0,1,0,1,0,0|1,0,0]=3 2833 B17R2.145696 O=C(CC(O)c1ccccc1)C2(COC2)O 1458a_100010273515_100000185958 [0,1,0,1,0,0|2,0,0]=4 2834 B17R2.145696 O=C(C[C@@H](O)c1ccccc1)C2(COC2)O 1458a_100010273515_100011933945 [0,1,0,1,0,0|2,0,0]=4 2835 B17R2.4754 C#CC(C)(C)NC1Cc2ccccc2C1O 34a_100000054563_100000211646 [0,1,0,1,0,0|1,0,1]=4 2836 B17R2.4754 CC(C)(CO)NC1Cc2ccccc2C1O 2230a_100000210608_100000211646 [0,1,0,1,0,0|0,0,0]=2 2837 B17R2.4754 CCC(C)(C)NC1Cc2ccccc2C1O 2230a_100000211385_100000211646 [0,1,0,1,0,0|1,0,0]=3 2838 B17R2.4754 CCC(C)(C)SC1Cc2ccccc2C1O 62a_100000032637_100000211646 [0,1,0,1,0,0|2,0,0]=4 2839 B17R2.4754 CCC(C)(C)SC1Cc2ccccc2C1O 62a_100000211646_100000032637 [0,1,0,1,0,0|2,0,0]=4 2840 B17R2.12917 CCC1(CC1)NC(=O)[C@H](O)c2ccccc2 240690a_100000732774_100000684486 [0,1,0,1,0,0|1,0,1]=4 2841 B17R2.12917 C[C@H](C(=O)NC1(CC1)CO)c2ccccc2 240690a_100000692850_100000751047 [0,1,0,1,0,0|1,0,1]=4 2842 B17R2.12917 C[C@H](C(=O)NC1(CC1)CO)c2ccccc2 527a_100000692850_100000751047 [0,1,0,1,0,0|1,0,1]=4 2843 B17R2.12917 O=C(NC1(CC1)CF)[C@H](O)c2ccccc2 240690a_100000054953_100000684486 [0,1,0,1,0,0|1,0,1]=4 2844 B17R2.12917 O=C(NC1(CC1)CO)C(F)c2ccccc2 240690a_100000692850_100000698975 [0,1,0,1,0,0|1,0,1]=4 2845 B17R2.12917 O=C(NC1(CC1)CO)C(F)c2ccccc2 527a_100000692850_100000698975 [0,1,0,1,0,0|1,0,1]=4 2846 B17R2.12917 O=C(NC1(CC1)CO)[C@H](O)c2ccccc2 240690a_100000692850_100000684486 [0,1,0,1,0,0|0,0,1]=3 2847 B17R2.45658 CC(NC1(COC1)C)C(=O)c2ccccc2 2230a_100000732644_100000239700 [0,1,0,1,0,0|0,0,2]=4 2848 B17R2.45658 CC1(CCC1)NC(=O)[C@H](O)c2ccccc2 240690a_100000692455_100000684486 [0,1,0,1,0,0|1,0,1]=4 2849 B17R2.45658 CC1(COC1)CC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000066812 [0,1,0,1,0,0|1,0,1]=4 2850 B17R2.45658 CC1(COC1)NC(=O)C(F)c2ccccc2 11a_100000732644_100000698975 [0,1,0,1,0,0|1,0,1]=4 2851 B17R2.45658 CC1(COC1)NC(=O)C(F)c2ccccc2 1626a_100000732644_100000698975 [0,1,0,1,0,0|1,0,1]=4 2852 B17R2.45658 CC1(COC1)NC(=O)C(F)c2ccccc2 527a_100000732644_100000698975 [0,1,0,1,0,0|1,0,1]=4 2853 B17R2.45658 C[C@H](C(=O)NC1(COC1)C)c2ccccc2 11a_100000732644_100000751047 [0,1,0,1,0,0|1,0,1]=4 2854 B17R2.45658 C[C@H](C(=O)NC1(COC1)C)c2ccccc2 1626a_100000732644_100000751047 [0,1,0,1,0,0|1,0,1]=4 2855 B17R2.45658 C[C@H](C(=O)NC1(COC1)C)c2ccccc2 527a_100000732644_100000751047 [0,1,0,1,0,0|1,0,1]=4 2856 B17R2.869414 CC(C)(CO)NC(=O)C1Cc2c1cccc2 240690a_100000210608_200000238571 [0,1,0,1,0,0|1,0,1]=4 2857 B17R2.869414 CC(C)(CO)NC(=O)C1Cc2c1cccc2 527a_100020618417_200000238571 [0,1,0,1,0,0|1,0,1]=4 2858 B17R2.12809 C#CC1(COC1)OCC(O)c2ccccc2 34a_100010264503_100000185958 [0,1,0,1,0,0|1,0,1]=4 2859 B17R2.12809 C#CC1(COC1)OC[C@@H](O)c2ccccc2 34a_100010264503_100011933945 [0,1,0,1,0,0|1,0,1]=4 2860 B17R2.12809 C=CC1(COC1)OCC(O)c2ccccc2 34a_100000118599_100000185958 [0,1,0,1,0,0|1,0,1]=4 2861 B17R2.12809 C=CC1(COC1)OCC(O)c2ccccc2 7a_100000118599_100000185958 [0,1,0,1,0,0|1,0,1]=4 2862 B17R2.12809 C=CC1(COC1)OC[C@@H](O)c2ccccc2 34a_100000118599_100011933945 [0,1,0,1,0,0|1,0,1]=4 2863 B17R2.12809 C=CC1(COC1)OC[C@@H](O)c2ccccc2 7a_100000118599_100011933945 [0,1,0,1,0,0|1,0,1]=4 2864 B17R2.12809 CC(CNC1(CCC1)CO)c2ccccc2 2230a_100016993734_100000756946 [0,1,0,1,0,0|1,0,0]=3 2865 B17R2.12809 CC(CNC1(CCC1)CO)c2ccccc2 270004a_100016993734_100000212034 [0,1,0,1,0,0|1,0,0]=3 2866 B17R2.12809 CC(CNC1(COC1)CO)c2ccccc2 2230a_100010290435_100000756946 [0,1,0,1,0,0|1,0,0]=3 2867 B17R2.12809 CC(CNC1(COC1)CO)c2ccccc2 270004a_100010290435_100000212034 [0,1,0,1,0,0|1,0,0]=3 2868 B17R2.12809 CCC1(COC1)OCC(C)c2ccccc2 7a_100010739965_100000756946 [0,1,0,1,0,0|2,0,0]=4 2869 B17R2.12809 CCC1(COC1)OCC(O)c2ccccc2 7a_100010739965_100000185958 [0,1,0,1,0,0|1,0,0]=3 2870 B17R2.12809 CCC1(COC1)OC[C@@H](O)c2ccccc2 7a_100010739965_100011933945 [0,1,0,1,0,0|1,0,0]=3 2871 B17R2.12809 N#CC1(CCC1)NCC(O)c2ccccc2 34a_100000739455_100000185958 [0,1,0,1,0,0|1,0,1]=4 2872 B17R2.12809 N#CC1(CCC1)NC[C@@H](O)c2ccccc2 34a_100000739455_100011933945 [0,1,0,1,0,0|1,0,1]=4 2873 B17R2.12809 OCC1(CCC1)NCC(O)c2ccccc2 2230a_100016993734_100000185958 [0,1,0,1,0,0|0,0,0]=2 2874 B17R2.12809 OCC1(CCC1)NC[C@@H](O)c2ccccc2 2230a_100016993734_100011933945 [0,1,0,1,0,0|0,0,0]=2 2875 B17R2.12809 OCC1(COC1)NCC(O)c2ccccc2 2230a_100010290435_100000185958 [0,1,0,1,0,0|0,0,0]=2 2876 B17R2.12809 OCC1(COC1)NC[C@@H](O)c2ccccc2 2230a_100010290435_100011933945 [0,1,0,1,0,0|0,0,0]=2 2877 B17R2.295596 CC(CNC1(CCOC1)C)c2ccccc2 2230a_100000693475_100000756946 [0,1,0,1,0,0|1,0,0]=3 2878 B17R2.295596 CC(CNC1(CCOC1)C)c2ccccc2 270004a_100000693475_100000212034 [0,1,0,1,0,0|1,0,0]=3 2879 B17R2.295596 CC1(CCCC1)OCC(O)c2ccccc2 34a_100000751722_100000185958 [0,1,0,1,0,0|2,0,0]=4 2880 B17R2.295596 CC1(CCCC1)OCC(O)c2ccccc2 7a_100000751722_100000185958 [0,1,0,1,0,0|2,0,0]=4 2881 B17R2.295596 CC1(CCCC1)OC[C@@H](O)c2ccccc2 34a_100000751722_100011933945 [0,1,0,1,0,0|2,0,0]=4 2882 B17R2.295596 CC1(CCCC1)OC[C@@H](O)c2ccccc2 7a_100000751722_100011933945 [0,1,0,1,0,0|2,0,0]=4 2883 B17R2.295596 CC1(CCOC1)NCC(O)c2ccccc2 2230a_100000693475_100000185958 [0,1,0,1,0,0|0,0,0]=2 2884 B17R2.295596 CC1(CCOC1)NC[C@@H](O)c2ccccc2 2230a_100000693475_100011933945 [0,1,0,1,0,0|0,0,0]=2 2885 B17R2.110938 FCC1(CC1)NCC(F)(F)c2ccccc2 34a_100000054953_100009875531 [0,1,0,1,0,0|2,0,0]=4 2886 B17R2.156819 CC1(CCC1)NCC(F)(F)c2ccccc2 34a_100000692455_100009875531 [0,1,0,1,0,0|2,0,0]=4 2887 B17R2.156819 CC1(COC1)NC[Si](C)(C)c2ccccc2 2230a_100000732644_100000038972 [0,1,0,1,0,0|1,1,0]=4 2888 B17R2.95 CC(C)(CO)NCc1coc2c1cccc2 207a_100000210608_100000688544 [0,1,0,1,0,0|0,0,1]=3 2889 B17R2.95 CC(C)(CO)NCc1coc2c1cccc2 270004a_100000210608_100000688544 [0,1,0,1,0,0|0,0,1]=3 2890 B17R2.95 CC(C)(CO)NCc1csc2c1cccc2 207a_100000210608_100000239721 [0,1,0,1,0,0|0,1,1]=4 2891 B17R2.95 CC(C)(CO)NCc1csc2c1cccc2 2230a_100000210608_200000742921 [0,1,0,1,0,0|0,1,1]=4 2892 B17R2.95 CC(C)(CO)NCc1csc2c1cccc2 270004a_100000210608_100000239721 [0,1,0,1,0,0|0,1,1]=4 2893 B17R2.95 CC(C)(CO)NCc1n[nH]c2c1cccc2 207a_100000210608_100000059708 [0,1,0,1,0,0|1,0,1]=4 2894 B17R2.95 CC(C)(CO)NCc1n[nH]c2c1cccc2 270004a_100000210608_100000059708 [0,1,0,1,0,0|1,0,1]=4 2895 B17R2.95 CC(C)(CO)NCn1nnc2c1cccc2 2230a_100000210608_100000033166 [0,1,0,1,0,0|2,0,0]=4 2896 B17R2.95 CCC(C)(C)NCc1coc2c1cccc2 207a_100000211385_100000688544 [0,1,0,1,0,0|1,0,1]=4 2897 B17R2.95 CCC(C)(C)NCc1coc2c1cccc2 270004a_100000211385_100000688544 [0,1,0,1,0,0|1,0,1]=4 2898 B17R2.111367 N#CC1(CC1)NCC(O)c2ccccc2Cl 34a_200000759403_100009889376 [0,1,0,1,0,0|1,0,1]=4 2899 B17R2.181377 Cc1ccccc1C(=O)CNC2(COC2)C 2230a_100000732644_100000741374 [0,1,0,1,0,0|0,0,2]=4 2900 B17R2.45352 CC(CNC1(CC1)C(=O)O)c2ccccc2 269956a_100000746478_100000756946 [0,1,0,1,0,0|1,0,1]=4 2901 B17R2.45352 NC(=O)C1(CC1)NCC(O)c2ccccc2 2230a_100000687655_100000185958 [0,1,0,1,0,0|0,0,2]=4 2902 B17R2.45352 NC(=O)C1(CC1)NC[C@@H](O)c2ccccc2 2230a_100000687655_100011933945 [0,1,0,1,0,0|0,0,2]=4 2903 B17R2.45352 O=C(O)C1(CC1)NCC(O)c2ccccc2 269956a_100000746478_100000185958 [0,1,0,1,0,0|0,0,1]=3 2904 B17R2.45352 O=C(O)C1(CC1)NC[C@@H](O)c2ccccc2 269956a_100000746478_100011933945 [0,1,0,1,0,0|0,0,1]=3 2905 B17R2.295346 CC(C)(NCC(O)c1ccccc1)C2CC2 2230a_100000695267_100000185958 [0,1,0,1,0,0|1,0,0]=3 2906 B17R2.295346 CC(C)(NC[C@@H](O)c1ccccc1)C2CC2 2230a_100000695267_100011933945 [0,1,0,1,0,0|1,0,0]=3 2907 B17R2.295346 CC(CNC(C)(C)C1CC1)c2ccccc2 2230a_100000695267_100000756946 [0,1,0,1,0,0|2,0,0]=4 2908 B17R2.295346 CC(CNC(C)(C)C1CC1)c2ccccc2 270004a_100000695267_100000212034 [0,1,0,1,0,0|2,0,0]=4 2909 B17R2.295592 CC(CNC1(CC1(F)F)C)c2ccccc2 2230a_100032004205_100000756946 [0,1,0,1,0,0|2,0,0]=4 2910 B17R2.295592 CC1(CC1(F)F)NCC(O)c2ccccc2 2230a_100032004205_100000185958 [0,1,0,1,0,0|1,0,0]=3 2911 B17R2.295592 CC1(CC1(F)F)NC[C@@H](O)c2ccccc2 2230a_100032004205_100011933945 [0,1,0,1,0,0|1,0,0]=3 2912 B17R2.47590 CCCC1(CC1)NCC(C)c2ccccc2 2230a_100015185929_100000756946 [0,1,0,1,0,0|2,0,0]=4 2913 B17R2.47590 CCCC1(CC1)NCC(C)c2ccccc2 270004a_100015185929_100000212034 [0,1,0,1,0,0|2,0,0]=4 2914 B17R2.47590 CCCC1(CC1)NCC(O)c2ccccc2 2230a_100015185929_100000185958 [0,1,0,1,0,0|1,0,0]=3 2915 B17R2.47590 CCCC1(CC1)NC[C@@H](O)c2ccccc2 2230a_100015185929_100011933945 [0,1,0,1,0,0|1,0,0]=3 2916 B17R2.452536 CCC(CNC1(CC1)CO)c2ccccc2 270004a_100000692850_100000753018 [0,1,0,1,0,0|1,0,0]=3 2917 B17R2.452732 CC1(COC1)CN[C@H](CO)c2ccccc2 2230a_100000751927_100000066812 [0,1,0,1,0,0|2,0,0]=4 2918 B17R2.452732 CC1(COC1)CN[C@H](CO)c2ccccc2 269862a_100000751927_100000050806 [0,1,0,1,0,0|2,0,0]=4 2919 B17R2.452732 CC1(COC1)CN[C@H](CO)c2ccccc2 34a_100000751927_100009817586 [0,1,0,1,0,0|2,0,0]=4 2920 B17R2.452732 CCC(CNC1(CCC1)C)c2ccccc2 270004a_100000692455_100000753018 [0,1,0,1,0,0|2,0,0]=4 2921 B17R2.452732 CCC(CNC1(COC1)C)c2ccccc2 270004a_100000732644_100000753018 [0,1,0,1,0,0|1,0,0]=3 2922 B17R3.484714 CC(CNC12CC(C1)C2)c3ccccc3 270004a_100016993715_100000212034 [0,0,0,2,0,0|2,0,0]=4 2923 B13R1.11 CC(CO)NC(C)c1ccccn1 2230a_100000181244_100012180447 [1,0,0,0,1,0|2,0,0]=4 2924 B13R1.11 CC(CO)NC(C)c1cccnc1 2230a_100000195435_100012180447 [1,0,0,0,1,0|2,0,0]=4 2925 B13R1.11 CC(CO)NC(C)c1ccncc1 2230a_100000181269_100012180447 [1,0,0,0,1,0|2,0,0]=4 2926 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [1,0,0,0,1,0|1,0,0]=3 2927 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [1,0,0,0,1,0|2,0,0]=4 2928 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [1,0,0,0,1,0|2,0,0]=4 2929 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [1,0,0,0,1,0|2,0,0]=4 2930 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [1,0,0,0,1,0|2,0,0]=4 2931 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [1,0,0,0,1,0|1,0,0]=3 2932 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [1,0,0,0,1,0|1,0,0]=3 2933 B13R1.11 CC(N[C@H](C)CO)c1ccccn1 269862a_100000737577_100000210467 [1,0,0,0,1,0|2,0,0]=4 2934 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 269862a_100000737577_100000210468 [1,0,0,0,1,0|2,0,0]=4 2935 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 269862a_100000737577_100000185792 [1,0,0,0,1,0|2,0,0]=4 2936 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [1,0,0,0,1,0|2,0,0]=4 2937 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [1,0,0,0,1,0|2,0,0]=4 2938 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [1,0,0,0,1,0|2,0,0]=4 2939 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [1,0,0,0,1,0|2,0,0]=4 2940 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [1,0,0,0,1,0|2,0,0]=4 2941 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [1,0,0,0,1,0|2,0,0]=4 2942 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [1,0,0,0,1,0|2,0,0]=4 2943 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [1,0,0,0,1,0|2,0,0]=4 2944 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [1,0,0,0,1,0|2,0,0]=4 2945 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [1,0,0,0,1,0|2,0,0]=4 2946 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [1,0,0,0,1,0|0,0,2]=4 2947 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [1,0,0,0,1,0|2,0,0]=4 2948 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [1,0,0,0,1,0|2,0,0]=4 2949 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [1,0,0,0,1,0|2,0,0]=4 2950 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [1,0,0,0,1,0|0,0,2]=4 2951 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [1,0,0,0,1,0|0,0,2]=4 2952 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [1,0,0,0,1,0|1,0,1]=4 2953 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [1,0,0,0,1,0|1,0,1]=4 2954 B13R1.162 CC(CO)NCC(O)c1ccco1 2230a_100000738650_100012180447 [1,0,0,0,1,0|1,0,0]=3 2955 B13R1.162 CC(CO)NCC(O)c1ccsc1 2230a_100000758718_100012180447 [1,0,0,0,1,0|1,0,0]=3 2956 B13R1.162 CC(CO)NCC(O)c1ccsc1 34a_100000758718_100012180447 [1,0,0,0,1,0|1,0,0]=3 2957 B13R1.162 CCC(C)NCC(O)c1ccco1 2230a_100000738650_100000758301 [1,0,0,0,1,0|2,0,0]=4 2958 B13R1.162 CCC(C)NCC(O)c1ccsc1 2230a_100000758718_100000758301 [1,0,0,0,1,0|2,0,0]=4 2959 B13R1.162 CCC(C)NCC(O)c1ccsc1 34a_100000758718_100011215416 [1,0,0,0,1,0|2,0,0]=4 2960 B13R1.252 CC(C)(CO)NCCc1c[nH]cn1 2230a_100000210608_100020628418 [1,0,0,0,1,0|2,0,0]=4 2961 B13R1.252 CC(C)(CO)NCCc1cccs1 2230a_100000210608_100000748579 [1,0,0,0,1,0|1,0,0]=3 2962 B13R1.252 CC(C)(CO)NCCc1cn[nH]c1 2230a_100000210608_100000743252 [1,0,0,0,1,0|2,0,0]=4 2963 B13R1.252 CC(C)(CO)NCCn1cccc1 2230a_100000210608_200009811947 [1,0,0,0,1,0|1,0,0]=3 2964 B13R1.252 CC(C)(CO)NCCn1cccn1 2230a_100000210608_100000685285 [1,0,0,0,1,0|2,0,0]=4 2965 B13R1.252 CCC(C)(C)NCCc1cccs1 2230a_100000211385_100000748579 [1,0,0,0,1,0|2,0,0]=4 2966 B13R1.252 CCC(C)(C)NCCn1cccc1 2230a_100000211385_200009811947 [1,0,0,0,1,0|2,0,0]=4 2967 B13R1.254 C#CC(C)(C)NCc1ccccc1 270004a_100000054563_100015611070 [1,0,0,0,1,0|1,0,1]=4 2968 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100000054563_100015291786 [1,0,0,0,1,0|1,0,1]=4 2969 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100015324214_100000038118 [1,0,0,0,1,0|1,0,1]=4 2970 B13R1.254 CC(C)(C#N)NCc1ccccc1 34a_100015324214_100011162410 [1,0,0,0,1,0|1,0,1]=4 2971 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [1,0,0,0,1,0|2,0,0]=4 2972 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [1,0,0,0,1,0|2,0,0]=4 2973 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [1,0,0,0,1,0|1,0,0]=3 2974 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [1,0,0,0,1,0|1,0,0]=3 2975 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [1,0,0,0,1,0|1,0,0]=3 2976 B13R1.254 CC(C)(CO)COc1cccnc1 34a_100000210849_100009813988 [1,0,0,0,1,0|2,0,0]=4 2977 B13R1.254 CC(C)(CO)COc1cccnc1 7a_100000210849_100009813988 [1,0,0,0,1,0|2,0,0]=4 2978 B13R1.254 CC(C)(CO)COc1ccncc1 34a_100000212176_100009813988 [1,0,0,0,1,0|2,0,0]=4 2979 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [1,0,0,0,1,0|1,0,0]=3 2980 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [1,0,0,0,1,0|1,0,0]=3 2981 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100009813988_100011216584 [1,0,0,0,1,0|2,0,0]=4 2982 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100011216584_100009813988 [1,0,0,0,1,0|2,0,0]=4 2983 B13R1.254 CC(C)(CO)CSc1cccnc1 62a_100000210063_100009813988 [1,0,0,0,1,0|2,0,0]=4 2984 B13R1.254 CC(C)(CO)CSc1cccnc1 62a_100009813988_100000210063 [1,0,0,0,1,0|2,0,0]=4 2985 B13R1.254 CC(C)(CO)CSc1ccncc1 62a_100000728582_100009813988 [1,0,0,0,1,0|2,0,0]=4 2986 B13R1.254 CC(C)(CO)CSc1ccncc1 62a_100009813988_100000728582 [1,0,0,0,1,0|2,0,0]=4 2987 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [1,0,0,0,1,0|0,0,0]=2 2988 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [1,0,0,0,1,0|0,0,0]=2 2989 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [1,0,0,0,1,0|0,0,0]=2 2990 B13R1.254 CC(C)(CO)NCc1ccccn1 207a_100000210608_100000209966 [1,0,0,0,1,0|1,0,0]=3 2991 B13R1.254 CC(C)(CO)NCc1ccccn1 2230a_100000210608_100000721315 [1,0,0,0,1,0|1,0,0]=3 2992 B13R1.254 CC(C)(CO)NCc1ccccn1 270004a_100000210608_100000209966 [1,0,0,0,1,0|1,0,0]=3 2993 B13R1.254 CC(C)(CO)NCc1cccnc1 207a_100000210608_100000209961 [1,0,0,0,1,0|1,0,0]=3 2994 B13R1.254 CC(C)(CO)NCc1cccnc1 2230a_100000210608_100000741622 [1,0,0,0,1,0|1,0,0]=3 2995 B13R1.254 CC(C)(CO)NCc1cccnc1 270004a_100000210608_100000209961 [1,0,0,0,1,0|1,0,0]=3 2996 B13R1.254 CC(C)(CO)NCc1cccnn1 2230a_100000210608_100016990269 [1,0,0,0,1,0|2,0,0]=4 2997 B13R1.254 CC(C)(CO)NCc1ccncc1 207a_100000210608_100000186114 [1,0,0,0,1,0|1,0,0]=3 2998 B13R1.254 CC(C)(CO)NCc1ccncc1 2230a_100000210608_100015193705 [1,0,0,0,1,0|1,0,0]=3 2999 B13R1.254 CC(C)(CO)NCc1ccnnc1 270004a_100000210608_100011934578 [1,0,0,0,1,0|2,0,0]=4 3000 B13R1.254 CC(C)(CO)NCc1cnccn1 2230a_100000210608_100016995436 [1,0,0,0,1,0|2,0,0]=4 3001 B13R1.254 CC(C)(CO)NCc1cnccn1 270004a_100000210608_100000749867 [1,0,0,0,1,0|2,0,0]=4 3002 B13R1.254 CC(C)(CO)NCc1cncnc1 2230a_100000210608_100015196519 [1,0,0,0,1,0|2,0,0]=4 3003 B13R1.254 CC(C)(CO)NCc1cncnc1 270004a_100000210608_100000749868 [1,0,0,0,1,0|2,0,0]=4 3004 B13R1.254 CC(C)(CO)NCc1ncccn1 2230a_100000210608_100000703007 [1,0,0,0,1,0|2,0,0]=4 3005 B13R1.254 CC(C)(CO)NCc1ncccn1 270004a_100000210608_100011532527 [1,0,0,0,1,0|2,0,0]=4 3006 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [1,0,0,0,1,0|1,0,0]=3 3007 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [1,0,0,0,1,0|1,0,0]=3 3008 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [1,0,0,0,1,0|1,0,0]=3 3009 B13R1.254 CCC(C)(C)NCc1ccccn1 207a_100000211385_100000209966 [1,0,0,0,1,0|2,0,0]=4 3010 B13R1.254 CCC(C)(C)NCc1ccccn1 2230a_100000211385_100000721315 [1,0,0,0,1,0|2,0,0]=4 3011 B13R1.254 CCC(C)(C)NCc1ccccn1 270004a_100000211385_100000209966 [1,0,0,0,1,0|2,0,0]=4 3012 B13R1.254 CCC(C)(C)NCc1cccnc1 207a_100000211385_100000209961 [1,0,0,0,1,0|2,0,0]=4 3013 B13R1.254 CCC(C)(C)NCc1cccnc1 2230a_100000211385_100000741622 [1,0,0,0,1,0|2,0,0]=4 3014 B13R1.254 CCC(C)(C)NCc1cccnc1 270004a_100000211385_100000209961 [1,0,0,0,1,0|2,0,0]=4 3015 B13R1.254 CCC(C)(C)NCc1ccncc1 207a_100000211385_100000186114 [1,0,0,0,1,0|2,0,0]=4 3016 B13R1.254 CCC(C)(C)NCc1ccncc1 2230a_100000211385_100015193705 [1,0,0,0,1,0|2,0,0]=4 3017 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [1,0,0,0,1,0|2,0,0]=4 3018 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [1,0,0,0,1,0|2,0,0]=4 3019 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [1,0,0,0,1,0|2,0,0]=4 3020 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [1,0,0,0,1,0|2,0,0]=4 3021 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [1,0,0,0,1,0|2,0,0]=4 3022 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 11a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 3023 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 1626a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 3024 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 240690a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 3025 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 527a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 3026 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [1,0,0,0,1,0|1,0,0]=3 3027 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [1,0,0,0,1,0|2,0,0]=4 3028 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [1,0,0,0,1,0|2,0,0]=4 3029 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [1,0,0,0,1,0|2,0,0]=4 3030 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [1,0,0,0,1,0|2,0,0]=4 3031 B13R1.352 CN(CC(C)(C)C)c1ccccc1 34a_100000210012_100011219605 [1,0,0,0,1,0|2,0,0]=4 3032 B13R1.352 CN(CC(C)(C)O)c1ccccc1 34a_100000210012_100000764493 [1,0,0,0,1,0|2,0,0]=4 3033 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [1,0,0,0,1,0|2,0,0]=4 3034 B13R1.2780 CC(C)(C)NCC(O)c1ccsc1 34a_100000758718_100000210625 [1,0,0,0,1,0|1,0,0]=3 3035 B15R1.959 C#CC(C)NCC[C@@H](O)c1ccccc1 2230a_100000707721_100000729684 [1,0,0,0,0,1|1,0,1]=4 3036 B15R1.959 C#CC(C)NCC[C@@H](O)c1ccccc1 34a_100000707721_100000729684 [1,0,0,0,0,1|1,0,1]=4 3037 B15R1.959 CC(C#N)NCCC(O)c1ccccc1 2230a_100000763605_100000184139 [1,0,0,0,0,1|1,0,1]=4 3038 B15R1.959 CC(C#N)NCC[C@@H](O)c1ccccc1 2230a_100000737613_100000729684 [1,0,0,0,0,1|1,0,1]=4 3039 B15R1.959 CC(CCN[C@H](C)CF)c1ccccc1 270004a_100102880703_100000189432 [1,0,0,0,0,1|2,0,0]=4 3040 B15R1.959 CC(CCN[C@H](C)CO)c1ccccc1 270004a_100000737577_100000189432 [1,0,0,0,0,1|1,0,0]=3 3041 B15R1.959 CC(CF)OCC[C@@H](O)c1ccccc1 34a_100016041109_100000729684 [1,0,0,0,0,1|2,0,0]=4 3042 B15R1.959 CC(CF)OCC[C@@H](O)c1ccccc1 7a_100016041109_100000729684 [1,0,0,0,0,1|2,0,0]=4 3043 B15R1.959 CC(CN)COCC(O)c1ccccc1 34a_100000744482_100000185958 [1,0,0,0,0,1|2,0,0]=4 3044 B15R1.959 CC(CN)COC[C@@H](O)c1ccccc1 34a_100000744482_100011933945 [1,0,0,0,0,1|2,0,0]=4 3045 B15R1.959 CC(CN)OCC[C@@H](O)c1ccccc1 34a_100000210904_100000729684 [1,0,0,0,0,1|2,0,0]=4 3046 B15R1.959 CC(CNCC(O)CO)c1ccccc1 2230a_100000701038_100011219619 [1,0,0,0,0,1|2,0,0]=4 3047 B15R1.959 CC(CNCC(O)CO)c1ccccc1 34a_100000701038_100011219619 [1,0,0,0,0,1|2,0,0]=4 3048 B15R1.959 CC(CNC[C@@H](C)CO)c1ccccc1 2230a_100000701038_100000059175 [1,0,0,0,0,1|1,0,0]=3 3049 B15R1.959 CC(CNC[C@@H](C)CO)c1ccccc1 34a_100000701038_100000059175 [1,0,0,0,0,1|1,0,0]=3 3050 B15R1.959 CC(CNC[C@@H](F)CO)c1ccccc1 270004a_100015665980_100000212034 [1,0,0,0,0,1|2,0,0]=4 3051 B15R1.959 CC(CNC[C@@H](F)CO)c1ccccc1 34a_100015665980_100000756946 [1,0,0,0,0,1|2,0,0]=4 3052 B15R1.959 CC(CNC[C@@H](O)CO)c1ccccc1 2230a_100000701038_100009815848 [1,0,0,0,0,1|2,0,0]=4 3053 B15R1.959 CC(CNC[C@@H](O)CO)c1ccccc1 34a_100000701038_100009815848 [1,0,0,0,0,1|2,0,0]=4 3054 B15R1.959 CC(CNC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000756946 [1,0,0,0,0,1|2,0,0]=4 3055 B15R1.959 CC(CO)CCNC(C)c1ccccc1 2230a_106354213184_100000230085 [1,0,0,0,0,1|2,0,0]=4 3056 B15R1.959 CC(CO)CCNC(C)c1ccccc1 269862a_106354213184_100000185851 [1,0,0,0,0,1|2,0,0]=4 3057 B15R1.959 CC(CO)CCNC(C)c1ccccc1 34a_106354213184_100000211855 [1,0,0,0,0,1|2,0,0]=4 3058 B15R1.959 CC(CO)CNCC(C)c1ccccc1 34a_100000744482_100000756946 [1,0,0,0,0,1|1,0,0]=3 3059 B15R1.959 CC(CO)CNCC(O)c1ccccc1 34a_100000744482_100000185958 [1,0,0,0,0,1|0,0,0]=2 3060 B15R1.959 CC(CO)CNC[C@@H](O)c1ccccc1 34a_100000744482_100011933945 [1,0,0,0,0,1|0,0,0]=2 3061 B15R1.959 CC(CO)NCCC(O)c1ccccc1 2230a_100000763605_100012180447 [1,0,0,0,0,1|0,0,0]=2 3062 B15R1.959 CC(CO)OCC[C@H](N)c1ccccc1 34a_100025705951_100012180447 [1,0,0,0,0,1|2,0,0]=4 3063 B15R1.959 CC(CO)SCC[C@@H](O)c1ccccc1 62a_100012180447_100000729684 [1,0,0,0,0,1|1,0,0]=3 3064 B15R1.959 CC(COC[C@@H](C)CO)c1ccccc1 34a_100011215166_100000059175 [1,0,0,0,0,1|2,0,0]=4 3065 B15R1.959 CC(COC[C@@H](C)CO)c1ccccc1 7a_100011215166_100000059175 [1,0,0,0,0,1|2,0,0]=4 3066 B15R1.959 CC(CSC[C@@H](C)CO)c1ccccc1 62a_100000059175_100000756946 [1,0,0,0,0,1|2,0,0]=4 3067 B15R1.959 CC(CSC[C@@H](C)CO)c1ccccc1 62a_100000756946_100000059175 [1,0,0,0,0,1|2,0,0]=4 3068 B15R1.959 CCC(C)CNCC(C)c1ccccc1 2230a_100000701038_100000748023 [1,0,0,0,0,1|2,0,0]=4 3069 B15R1.959 CCC(C)CNCC(C)c1ccccc1 2230a_100020588543_100000756946 [1,0,0,0,0,1|2,0,0]=4 3070 B15R1.959 CCC(C)CNCC(C)c1ccccc1 270004a_100000701038_100000243153 [1,0,0,0,0,1|2,0,0]=4 3071 B15R1.959 CCC(C)CNCC(C)c1ccccc1 270004a_100020588543_100000212034 [1,0,0,0,0,1|2,0,0]=4 3072 B15R1.959 CCC(C)CNCC(C)c1ccccc1 34a_100000701038_100000748023 [1,0,0,0,0,1|2,0,0]=4 3073 B15R1.959 CCC(C)CNCC(O)c1ccccc1 2230a_100000210709_100000748023 [1,0,0,0,0,1|1,0,0]=3 3074 B15R1.959 CCC(C)CNCC(O)c1ccccc1 2230a_100020588543_100000185958 [1,0,0,0,0,1|1,0,0]=3 3075 B15R1.959 CCC(C)CNCC(O)c1ccccc1 270004a_100000210709_100000243153 [1,0,0,0,0,1|1,0,0]=3 3076 B15R1.959 CCC(C)CNCC(O)c1ccccn1 2230a_100000691469_100000748023 [1,0,0,0,0,1|2,0,0]=4 3077 B15R1.959 CCC(C)CNCC(O)c1ccccn1 270004a_100000691469_100000243153 [1,0,0,0,0,1|2,0,0]=4 3078 B15R1.959 CCC(C)CNCC(O)c1cccnc1 2230a_100020605170_100000748023 [1,0,0,0,0,1|2,0,0]=4 3079 B15R1.959 CCC(C)CNCC(O)c1cccnc1 270004a_100020605170_100000243153 [1,0,0,0,0,1|2,0,0]=4 3080 B15R1.959 CCC(C)CNC[C@@H](O)c1ccccc1 2230a_100020588543_100011933945 [1,0,0,0,0,1|1,0,0]=3 3081 B15R1.959 CCC(C)CSCC(O)c1ccccc1 62a_100000185958_100000748023 [1,0,0,0,0,1|2,0,0]=4 3082 B15R1.959 CCC(C)CSCC(O)c1ccccc1 62a_100000748023_100000185958 [1,0,0,0,0,1|2,0,0]=4 3083 B15R1.959 CCC(C)CSC[C@@H](O)c1ccccc1 62a_100000748023_100011933945 [1,0,0,0,0,1|2,0,0]=4 3084 B15R1.959 CCC(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000748023 [1,0,0,0,0,1|2,0,0]=4 3085 B15R1.959 CCC(C)NCCC(C)c1ccccc1 270004a_100000209981_100000189432 [1,0,0,0,0,1|2,0,0]=4 3086 B15R1.959 CCC(C)NCCC(O)c1ccccc1 2230a_100000763605_100000758301 [1,0,0,0,0,1|1,0,0]=3 3087 B15R1.959 CCC(C)NCC[C@@H](O)c1ccccc1 2230a_100000209981_100000729684 [1,0,0,0,0,1|1,0,0]=3 3088 B15R1.959 CCC(C)OCC[C@@H](O)c1ccccc1 7a_100000210228_100000729684 [1,0,0,0,0,1|2,0,0]=4 3089 B15R1.959 CCC(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000758301 [1,0,0,0,0,1|2,0,0]=4 3090 B15R1.959 CCC(C)SCC[C@@H](O)c1ccccc1 62a_100000758301_100000729684 [1,0,0,0,0,1|2,0,0]=4 3091 B15R1.959 CCC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011218378 [1,0,0,0,0,1|2,0,0]=4 3092 B15R1.959 CCC(O)CNCC(O)c1ccccc1 2230a_100011218483_100000185958 [1,0,0,0,0,1|2,0,0]=4 3093 B15R1.959 CCC(O)CNC[C@@H](O)c1ccccc1 2230a_100011218483_100011933945 [1,0,0,0,0,1|2,0,0]=4 3094 B15R1.959 CC[C@H](C)CNCC(C)c1ccccc1 2230a_100000701038_100009816398 [1,0,0,0,0,1|2,0,0]=4 3095 B15R1.959 CC[C@H](C)CNCC(C)c1ccccc1 34a_100000701038_100009816398 [1,0,0,0,0,1|2,0,0]=4 3096 B15R1.959 CC[C@H](C)CNCC(O)c1ccccc1 2230a_100000210709_100009816398 [1,0,0,0,0,1|1,0,0]=3 3097 B15R1.959 CC[C@H](C)CNCC(O)c1ccccn1 2230a_100000691469_100009816398 [1,0,0,0,0,1|2,0,0]=4 3098 B15R1.959 CC[C@H](C)CNCC(O)c1cccnc1 2230a_100020605170_100009816398 [1,0,0,0,0,1|2,0,0]=4 3099 B15R1.959 CC[C@H](C)COCC(O)c1ccccc1 7a_100009816381_100000185958 [1,0,0,0,0,1|2,0,0]=4 3100 B15R1.959 CC[C@H](C)COC[C@@H](O)c1ccccc1 7a_100009816381_100011933945 [1,0,0,0,0,1|2,0,0]=4 3101 B15R1.959 CC[C@H](C)CSCC(O)c1ccccc1 62a_100000185958_100009816398 [1,0,0,0,0,1|2,0,0]=4 3102 B15R1.959 CC[C@H](C)CSCC(O)c1ccccc1 62a_100009816398_100000185958 [1,0,0,0,0,1|2,0,0]=4 3103 B15R1.959 CC[C@H](C)CSC[C@@H](O)c1ccccc1 62a_100009816398_100011933945 [1,0,0,0,0,1|2,0,0]=4 3104 B15R1.959 CC[C@H](C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009816398 [1,0,0,0,0,1|2,0,0]=4 3105 B15R1.959 CO[C@H](C)CNCC(O)c1ccccc1 2230a_100020591295_100000185958 [1,0,0,0,0,1|2,0,0]=4 3106 B15R1.959 CO[C@H](C)CNC[C@@H](O)c1ccccc1 2230a_100020591295_100011933945 [1,0,0,0,0,1|2,0,0]=4 3107 B15R1.959 C[C@@H](CO)CNCC(O)c1ccccc1 2230a_100000210709_100000059175 [1,0,0,0,0,1|0,0,0]=2 3108 B15R1.959 C[C@@H](CO)CNCC(O)c1ccccn1 2230a_100000691469_100000059175 [1,0,0,0,0,1|1,0,0]=3 3109 B15R1.959 C[C@@H](CO)CNCC(O)c1cccnc1 2230a_100020605170_100000059175 [1,0,0,0,0,1|1,0,0]=3 3110 B15R1.959 C[C@@H](CO)COC[C@@H](N)c1ccccc1 34a_100000751927_100000059175 [1,0,0,0,0,1|2,0,0]=4 3111 B15R1.959 C[C@@H](CO)CSCC(O)c1ccccc1 62a_100000059175_100000185958 [1,0,0,0,0,1|1,0,0]=3 3112 B15R1.959 C[C@@H](CO)CSCC(O)c1ccccc1 62a_100000185958_100000059175 [1,0,0,0,0,1|1,0,0]=3 3113 B15R1.959 C[C@@H](CO)CSC[C@@H](O)c1ccccc1 62a_100000059175_100011933945 [1,0,0,0,0,1|1,0,0]=3 3114 B15R1.959 C[C@@H](CO)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000059175 [1,0,0,0,0,1|1,0,0]=3 3115 B15R1.959 C[C@H](CO)NCCC(=O)c1ccccc1 2230a_100000737577_100000750707 [1,0,0,0,0,1|0,0,2]=4 3116 B15R1.959 C[C@H](CO)NCCS(=O)c1ccccc1 2230a_100000737577_100000740319 [1,0,0,0,0,1|1,0,1]=4 3117 B15R1.959 C[C@H](CO)NCC[C@@H](O)c1ccccc1 2230a_100000737577_100000729684 [1,0,0,0,0,1|0,0,0]=2 3118 B15R1.959 C[C@H](CO)SCC[C@@H](O)c1ccccc1 62a_100000729684_100016084084 [1,0,0,0,0,1|1,0,0]=3 3119 B15R1.959 C[C@H](CO)SCC[C@@H](O)c1ccccc1 62a_100016084084_100000729684 [1,0,0,0,0,1|1,0,0]=3 3120 B15R1.959 O=C(CO)NCCC(O)c1ccccc1 240690a_100000763605_100000210174 [1,0,0,0,0,1|1,0,1]=4 3121 B15R1.959 O=C(CO)NCCC(O)c1ccccc1 527a_100000763605_100000210174 [1,0,0,0,0,1|1,0,1]=4 3122 B15R1.959 OC(CNC[C@@H](O)CF)c1ccccc1 2230a_100000210709_100015614560 [1,0,0,0,0,1|2,0,0]=4 3123 B15R1.959 OCC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011219619 [1,0,0,0,0,1|1,0,0]=3 3124 B15R1.959 OCC(O)CNCC(O)c1ccccn1 2230a_100000691469_100011219619 [1,0,0,0,0,1|2,0,0]=4 3125 B15R1.959 OCC(O)CNCC(O)c1cccnc1 2230a_100020605170_100011219619 [1,0,0,0,0,1|2,0,0]=4 3126 B15R1.959 OCC(O)CSCC(O)c1ccccc1 62a_100000185958_100011219619 [1,0,0,0,0,1|2,0,0]=4 3127 B15R1.959 OCC(O)CSCC(O)c1ccccc1 62a_100011219619_100000185958 [1,0,0,0,0,1|2,0,0]=4 3128 B15R1.959 OCC(O)CSC[C@@H](O)c1ccccc1 62a_100011219619_100011933945 [1,0,0,0,0,1|2,0,0]=4 3129 B15R1.959 OCC(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011219619 [1,0,0,0,0,1|2,0,0]=4 3130 B15R1.959 OC[C@@H](O)CNCC(O)c1ccccc1 2230a_100020644852_100000185958 [1,0,0,0,0,1|1,0,0]=3 3131 B15R1.959 OC[C@@H](O)CNC[C@@H](O)c1ccccc1 2230a_100020644852_100011933945 [1,0,0,0,0,1|1,0,0]=3 3132 B15R1.959 OC[C@H](F)CNCC(O)c1ccccc1 34a_100015665980_100000185958 [1,0,0,0,0,1|1,0,0]=3 3133 B15R1.959 OC[C@H](F)CNC[C@@H](O)c1ccccc1 34a_100015665980_100011933945 [1,0,0,0,0,1|1,0,0]=3 3134 B15R1.959 OC[C@H](O)CNCC(O)c1ccccc1 2230a_100000210709_100009815848 [1,0,0,0,0,1|1,0,0]=3 3135 B15R1.959 OC[C@H](O)CNCC(O)c1ccccn1 2230a_100000691469_100009815848 [1,0,0,0,0,1|2,0,0]=4 3136 B15R1.959 OC[C@H](O)CNCC(O)c1cccnc1 2230a_100020605170_100009815848 [1,0,0,0,0,1|2,0,0]=4 3137 B15R1.959 OC[C@H](O)CSCC(O)c1ccccc1 62a_100000185958_100009815848 [1,0,0,0,0,1|2,0,0]=4 3138 B15R1.959 OC[C@H](O)CSCC(O)c1ccccc1 62a_100009815848_100000185958 [1,0,0,0,0,1|2,0,0]=4 3139 B15R1.959 OC[C@H](O)CSC[C@@H](O)c1ccccc1 62a_100009815848_100011933945 [1,0,0,0,0,1|2,0,0]=4 3140 B15R1.959 OC[C@H](O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009815848 [1,0,0,0,0,1|2,0,0]=4 3141 B15R1.964 C#CC(C)NC[C@@H](O)Cc1ccccc1 2230a_100000707721_100000729385 [1,0,0,0,0,1|1,0,1]=4 3142 B15R1.964 C#CC(C)NC[C@@H](O)Cc1ccccc1 34a_100000707721_100000729385 [1,0,0,0,0,1|1,0,1]=4 3143 B15R1.964 CC(C#N)NCC(O)Cc1ccccc1 2230a_100000752270_100000184139 [1,0,0,0,0,1|1,0,1]=4 3144 B15R1.964 CC(C#N)NC[C@@H](O)Cc1ccccc1 2230a_100000737613_100000729385 [1,0,0,0,0,1|1,0,1]=4 3145 B15R1.964 CC(CF)OC[C@@H](O)Cc1ccccc1 34a_100016041109_100000729385 [1,0,0,0,0,1|2,0,0]=4 3146 B15R1.964 CC(CF)OC[C@@H](O)Cc1ccccc1 7a_100016041109_100000729385 [1,0,0,0,0,1|2,0,0]=4 3147 B15R1.964 CC(CN)OC[C@@H](O)Cc1ccccc1 34a_100000210904_100000729385 [1,0,0,0,0,1|2,0,0]=4 3148 B15R1.964 CC(CO)NCC(C)Oc1ccccc1 2230a_100000755676_100012180447 [1,0,0,0,0,1|1,0,0]=3 3149 B15R1.964 CC(CO)NCC(C)Oc1ccccc1 34a_100000755676_100012180447 [1,0,0,0,0,1|1,0,0]=3 3150 B15R1.964 CC(CO)NCC(C)Oc1cccnc1 2230a_200011219418_100012180447 [1,0,0,0,0,1|2,0,0]=4 3151 B15R1.964 CC(CO)NCC(O)Cc1ccccc1 2230a_100000752270_100012180447 [1,0,0,0,0,1|0,0,0]=2 3152 B15R1.964 CC(CO)OCC(C)Oc1ccccc1 34a_200000036796_100012180447 [1,0,0,0,0,1|2,0,0]=4 3153 B15R1.964 CC(CO)OCC(C)Oc1ccccc1 7a_200000036796_100012180447 [1,0,0,0,0,1|2,0,0]=4 3154 B15R1.964 CC(CO)OCC(N)Cc1ccccc1 34a_100000739027_100012180447 [1,0,0,0,0,1|2,0,0]=4 3155 B15R1.964 CC(CO)SC[C@@H](O)Cc1ccccc1 62a_100012180447_100000729385 [1,0,0,0,0,1|1,0,0]=3 3156 B15R1.964 CC(COC(C)CO)Cc1ccccc1 34a_100012125295_100012180447 [1,0,0,0,0,1|2,0,0]=4 3157 B15R1.964 CC(COC(C)CO)Cc1ccccc1 7a_100012125295_100012180447 [1,0,0,0,0,1|2,0,0]=4 3158 B15R1.964 CCC(C)NCC(C)Oc1ccccc1 2230a_100000755676_100000758301 [1,0,0,0,0,1|2,0,0]=4 3159 B15R1.964 CCC(C)NCC(C)Oc1ccccc1 34a_100000755676_100011215416 [1,0,0,0,0,1|2,0,0]=4 3160 B15R1.964 CCC(C)NCC(O)Cc1ccccc1 2230a_100000752270_100000758301 [1,0,0,0,0,1|1,0,0]=3 3161 B15R1.964 CCC(C)NC[C@@H](O)Cc1ccccc1 2230a_100000209981_100000729385 [1,0,0,0,0,1|1,0,0]=3 3162 B15R1.964 CCC(C)OC[C@@H](O)Cc1ccccc1 7a_100000210228_100000729385 [1,0,0,0,0,1|2,0,0]=4 3163 B15R1.964 CCC(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000758301 [1,0,0,0,0,1|2,0,0]=4 3164 B15R1.964 CCC(C)SC[C@@H](O)Cc1ccccc1 62a_100000758301_100000729385 [1,0,0,0,0,1|2,0,0]=4 3165 B15R1.964 C[C@H](CO)NCC(=O)Cc1ccccc1 2230a_100000737577_100000233483 [1,0,0,0,0,1|0,0,2]=4 3166 B15R1.964 C[C@H](CO)NCC(=O)Nc1ccccc1 2230a_100000737577_100000182850 [1,0,0,0,0,1|0,0,2]=4 3167 B15R1.964 C[C@H](CO)NCC(=O)Oc1ccccc1 2230a_100000737577_100009813826 [1,0,0,0,0,1|0,0,2]=4 3168 B15R1.964 C[C@H](CO)NC[C@@H](O)Cc1ccccc1 2230a_100000737577_100000729385 [1,0,0,0,0,1|0,0,0]=2 3169 B15R1.964 C[C@H](CO)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100016084084 [1,0,0,0,0,1|1,0,0]=3 3170 B15R1.964 C[C@H](CO)SC[C@@H](O)Cc1ccccc1 62a_100016084084_100000729385 [1,0,0,0,0,1|1,0,0]=3 3171 B15R1.964 O=C(CO)NCC(O)Cc1ccccc1 240690a_100000752270_100000210174 [1,0,0,0,0,1|1,0,1]=4 3172 B15R1.964 O=C(CO)NCC(O)Cc1ccccc1 527a_100000752270_100000210174 [1,0,0,0,0,1|1,0,1]=4 3173 B15R1.315 C#CC(C)(C)NCCCc1ccccc1 34a_100000054563_100000211621 [1,0,0,0,0,1|1,0,1]=4 3174 B15R1.315 C#CC(C)(C)NCCCc1ccccc1 34a_100000211184_100000038118 [1,0,0,0,0,1|1,0,1]=4 3175 B15R1.315 C#CC(C)(C)NCCOc1ccccc1 270004a_100000054563_100000758736 [1,0,0,0,0,1|1,0,1]=4 3176 B15R1.315 C#CC(C)(C)NCCOc1ccccc1 34a_100000054563_100000184471 [1,0,0,0,0,1|1,0,1]=4 3177 B15R1.315 C#CC(C)(C)NCCOc1ccccc1 34a_100000174943_100000038118 [1,0,0,0,0,1|1,0,1]=4 3178 B15R1.315 C#CC(C)(C)NCCSc1ccccc1 34a_100000054563_100000246102 [1,0,0,0,0,1|1,0,1]=4 3179 B15R1.315 C#CC(C)(C)NCOCc1ccccc1 34a_100000054563_100000763385 [1,0,0,0,0,1|1,0,1]=4 3180 B15R1.315 C#CC(C)(C)NCSCc1ccccc1 34a_100000054563_200011217039 [1,0,0,0,0,1|1,0,1]=4 3181 B15R1.315 CC(C)(C#N)NCCCc1ccccc1 34a_100000211184_100011162410 [1,0,0,0,0,1|1,0,1]=4 3182 B15R1.315 CC(C)(C#N)NCCOc1ccccc1 34a_100000174943_100011162410 [1,0,0,0,0,1|1,0,1]=4 3183 B15R1.315 CC(C)(CCl)COCCc1ccccc1 7a_100011217199_100000765856 [1,0,0,0,0,1|2,0,0]=4 3184 B15R1.315 CC(C)(CCl)OCCCc1ccccc1 7a_100000764493_100000211621 [1,0,0,0,0,1|2,0,0]=4 3185 B15R1.315 CC(C)(CCl)OCCOc1ccccc1 7a_100000764493_100000184471 [1,0,0,0,0,1|2,0,0]=4 3186 B15R1.315 CC(C)(CCl)OCCSc1ccccc1 7a_100000764493_100000246102 [1,0,0,0,0,1|2,0,0]=4 3187 B15R1.315 CC(C)(CO)CNCCc1ccccc1 2230a_100020635058_100000765856 [1,0,0,0,0,1|0,0,0]=2 3188 B15R1.315 CC(C)(CO)CNCCc1ccccc1 34a_100000106460_100009813988 [1,0,0,0,0,1|0,0,0]=2 3189 B15R1.315 CC(C)(CO)CNCCc1ccccn1 2230a_100020635058_100015183660 [1,0,0,0,0,1|1,0,0]=3 3190 B15R1.315 CC(C)(CO)CNCCc1cccnc1 2230a_100020635058_200011713674 [1,0,0,0,0,1|1,0,0]=3 3191 B15R1.315 CC(C)(CO)CNCCc1ccncc1 2230a_100020635058_100000723409 [1,0,0,0,0,1|1,0,0]=3 3192 B15R1.315 CC(C)(CO)CNCSc1ccccc1 2230a_100020635058_100011218342 [1,0,0,0,0,1|1,0,0]=3 3193 B15R1.315 CC(C)(CO)COCCc1ccccc1 34a_100000210268_100009813988 [1,0,0,0,0,1|1,0,0]=3 3194 B15R1.315 CC(C)(CO)COCCc1ccccc1 7a_100000210268_100009813988 [1,0,0,0,0,1|1,0,0]=3 3195 B15R1.315 CC(C)(CO)COCCc1ccccn1 34a_100000210271_100009813988 [1,0,0,0,0,1|2,0,0]=4 3196 B15R1.315 CC(C)(CO)COCCc1cccnc1 34a_100011217484_100009813988 [1,0,0,0,0,1|2,0,0]=4 3197 B15R1.315 CC(C)(CO)COCCc1ccncc1 34a_100011216225_100009813988 [1,0,0,0,0,1|2,0,0]=4 3198 B15R1.315 CC(C)(CO)CSCCc1ccccc1 62a_100000765856_100009813988 [1,0,0,0,0,1|1,0,0]=3 3199 B15R1.315 CC(C)(CO)CSCCc1ccccc1 62a_100009813988_100011218657 [1,0,0,0,0,1|1,0,0]=3 3200 B15R1.315 CC(C)(CO)CSCCc1ccccn1 62a_100009813988_100015183660 [1,0,0,0,0,1|2,0,0]=4 3201 B15R1.315 CC(C)(CO)CSCCc1ccccn1 62a_100015183660_100009813988 [1,0,0,0,0,1|2,0,0]=4 3202 B15R1.315 CC(C)(CO)CSCCc1cccnc1 62a_100009813988_200011713674 [1,0,0,0,0,1|2,0,0]=4 3203 B15R1.315 CC(C)(CO)CSCCc1cccnc1 62a_200011713674_100009813988 [1,0,0,0,0,1|2,0,0]=4 3204 B15R1.315 CC(C)(CO)CSCCc1ccncc1 62a_100000723409_100009813988 [1,0,0,0,0,1|2,0,0]=4 3205 B15R1.315 CC(C)(CO)CSCCc1ccncc1 62a_100009813988_100000723409 [1,0,0,0,0,1|2,0,0]=4 3206 B15R1.315 CC(C)(CO)CSCSc1ccccc1 62a_100009813988_100011218342 [1,0,0,0,0,1|2,0,0]=4 3207 B15R1.315 CC(C)(CO)CSCSc1ccccc1 62a_100011218342_100009813988 [1,0,0,0,0,1|2,0,0]=4 3208 B15R1.315 CC(C)(CO)NC/C=C/c1ccccc1 2230a_100000210608_100016265936 [1,0,0,0,0,1|0,0,1]=3 3209 B15R1.315 CC(C)(CO)NCC#Cc1ccccc1 2230a_100000210608_100011352542 [1,0,0,0,0,1|0,0,1]=3 3210 B15R1.315 CC(C)(CO)NCC=Cc1ccccc1 270004a_100000210608_100000210105 [1,0,0,0,0,1|0,0,1]=3 3211 B15R1.315 CC(C)(CO)NCCCc1ccccc1 2230a_100000210608_100000211621 [1,0,0,0,0,1|0,0,0]=2 3212 B15R1.315 CC(C)(CO)NCCOc1ccccc1 2230a_100000210608_100000184471 [1,0,0,0,0,1|0,0,0]=2 3213 B15R1.315 CC(C)(CO)NCCOc1ccccc1 270004a_100000210608_100000758736 [1,0,0,0,0,1|0,0,0]=2 3214 B15R1.315 CC(C)(CO)NCCSc1ccccc1 2230a_100000210608_100000246102 [1,0,0,0,0,1|0,0,0]=2 3215 B15R1.315 CC(C)(CO)NCOCc1ccccc1 2230a_100000210608_100000763385 [1,0,0,0,0,1|0,0,0]=2 3216 B15R1.315 CC(C)(CO)NCSCc1ccccc1 2230a_100000210608_200011217039 [1,0,0,0,0,1|0,0,0]=2 3217 B15R1.315 CCC(C)(C)COCCc1ccccc1 7a_100000765029_100000765856 [1,0,0,0,0,1|2,0,0]=4 3218 B15R1.315 CCC(C)(C)NC/C=C/c1ccccc1 2230a_100000211385_100016265936 [1,0,0,0,0,1|1,0,1]=4 3219 B15R1.315 CCC(C)(C)NCC#Cc1ccccc1 2230a_100000211385_100011352542 [1,0,0,0,0,1|1,0,1]=4 3220 B15R1.315 CCC(C)(C)NCC=Cc1ccccc1 270004a_100000211385_100000210105 [1,0,0,0,0,1|1,0,1]=4 3221 B15R1.315 CCC(C)(C)NCCCc1ccccc1 2230a_100000211385_100000211621 [1,0,0,0,0,1|1,0,0]=3 3222 B15R1.315 CCC(C)(C)NCCOc1ccccc1 2230a_100000211385_100000184471 [1,0,0,0,0,1|1,0,0]=3 3223 B15R1.315 CCC(C)(C)NCCOc1ccccc1 270004a_100000211385_100000758736 [1,0,0,0,0,1|1,0,0]=3 3224 B15R1.315 CCC(C)(C)NCCSc1ccccc1 2230a_100000211385_100000246102 [1,0,0,0,0,1|1,0,0]=3 3225 B15R1.315 CCC(C)(C)NCOCc1ccccc1 2230a_100000211385_100000763385 [1,0,0,0,0,1|1,0,0]=3 3226 B15R1.315 CCC(C)(C)NCSCc1ccccc1 2230a_100000211385_200011217039 [1,0,0,0,0,1|1,0,0]=3 3227 B15R1.315 CCC(C)(C)OCCCc1ccccc1 7a_100000210230_100000211621 [1,0,0,0,0,1|2,0,0]=4 3228 B15R1.315 CCC(C)(C)OCCCc1ccccc1 7a_100000210828_100000210677 [1,0,0,0,0,1|2,0,0]=4 3229 B15R1.315 CCC(C)(C)OCCOc1ccccc1 7a_100000210230_100000184471 [1,0,0,0,0,1|2,0,0]=4 3230 B15R1.315 CCC(C)(C)OCCOc1ccccc1 7a_100000210260_100000210677 [1,0,0,0,0,1|2,0,0]=4 3231 B15R1.315 CCC(C)(C)OCCSc1ccccc1 7a_100000210230_100000246102 [1,0,0,0,0,1|2,0,0]=4 3232 B15R1.315 CCC(C)(C)OCCSc1ccccc1 7a_100000230494_100000210677 [1,0,0,0,0,1|2,0,0]=4 3233 B15R1.315 CCC(C)(C)SCCCc1ccccc1 62a_100000032637_100000211621 [1,0,0,0,0,1|2,0,0]=4 3234 B15R1.315 CCC(C)(C)SCCCc1ccccc1 62a_100000211621_100000032637 [1,0,0,0,0,1|2,0,0]=4 3235 B15R1.315 CCC(C)(C)SCCOc1ccccc1 62a_100000032637_100000184471 [1,0,0,0,0,1|2,0,0]=4 3236 B15R1.315 CCC(C)(C)SCCOc1ccccc1 62a_100000184471_100000032637 [1,0,0,0,0,1|2,0,0]=4 3237 B15R1.315 CCC(C)(C)SCCSc1ccccc1 62a_100000032637_100000246102 [1,0,0,0,0,1|2,0,0]=4 3238 B15R1.315 CCC(C)(C)SCCSc1ccccc1 62a_100000246102_100000032637 [1,0,0,0,0,1|2,0,0]=4 3239 B15R1.315 CCC(C)(C)SCOCc1ccccc1 62a_100000032637_100000763385 [1,0,0,0,0,1|2,0,0]=4 3240 B15R1.315 CCC(C)(C)SCOCc1ccccc1 62a_100000763385_100000032637 [1,0,0,0,0,1|2,0,0]=4 3241 B15R1.315 CCC(C)(C)SCSCc1ccccc1 62a_100000032637_200011217039 [1,0,0,0,0,1|2,0,0]=4 3242 B15R1.315 CCC(C)(C)SCSCc1ccccc1 62a_200011217039_100000032637 [1,0,0,0,0,1|2,0,0]=4 3243 B15R1.315 COC(C)(C)CNCCc1ccccc1 2230a_100000763424_100000765856 [1,0,0,0,0,1|2,0,0]=4 3244 B15R1.315 COC(C)(C)CNCCc1ccccc1 34a_100000106460_100000701081 [1,0,0,0,0,1|2,0,0]=4 3245 B15R1.315 CSC(C)(C)CNCCc1ccccc1 270004a_100000106460_100009845794 [1,0,0,0,0,1|2,0,0]=4 3246 B15R1.9094 CC(C)(C)CNCC(O)c1ccccc1 2230a_100000743828_100000185958 [1,0,0,0,0,1|0,0,0]=2 3247 B15R1.9094 CC(C)(C)CNCC(O)c1ccccc1 270004a_100000210709_100011204126 [1,0,0,0,0,1|0,0,0]=2 3248 B15R1.9094 CC(C)(C)CNCC(O)c1ccccn1 270004a_100000691469_100011204126 [1,0,0,0,0,1|1,0,0]=3 3249 B15R1.9094 CC(C)(C)CNCC(O)c1cccnc1 270004a_100020605170_100011204126 [1,0,0,0,0,1|1,0,0]=3 3250 B15R1.9094 CC(C)(C)CNC[C@@H](O)c1ccccc1 2230a_100000743828_100011933945 [1,0,0,0,0,1|0,0,0]=2 3251 B15R1.9094 CC(C)(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100011219605 [1,0,0,0,0,1|2,0,0]=4 3252 B15R1.9094 CC(C)(C)CSCC(O)c1ccccc1 62a_100000185958_100011219605 [1,0,0,0,0,1|1,0,0]=3 3253 B15R1.9094 CC(C)(C)CSCC(O)c1ccccc1 62a_100011219605_100000185958 [1,0,0,0,0,1|1,0,0]=3 3254 B15R1.9094 CC(C)(C)CSC[C@@H](O)c1ccccc1 62a_100011219605_100011933945 [1,0,0,0,0,1|1,0,0]=3 3255 B15R1.9094 CC(C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011219605 [1,0,0,0,0,1|1,0,0]=3 3256 B15R1.9094 CC(C)(C)NCCC(=O)c1ccccc1 2230a_100000715429_100000750707 [1,0,0,0,0,1|0,0,2]=4 3257 B15R1.9094 CC(C)(C)NCCS(=O)c1ccccc1 2230a_100000715429_100000740319 [1,0,0,0,0,1|1,0,1]=4 3258 B15R1.9094 CC(C)(C)NCC[C@@H](O)c1ccccc1 2230a_100000715429_100000729684 [1,0,0,0,0,1|0,0,0]=2 3259 B15R1.9094 CC(C)(C)OCC[C@@H](O)c1ccccc1 34a_100015890283_100000729684 [1,0,0,0,0,1|1,0,0]=3 3260 B15R1.9094 CC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100015890283_100000729684 [1,0,0,0,0,1|1,0,0]=3 3261 B15R1.9094 CC(C)(C)OCC[C@H](N)c1ccccc1 34a_100025705951_100000210625 [1,0,0,0,0,1|2,0,0]=4 3262 B15R1.9094 CC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000211941_100000729684 [1,0,0,0,0,1|1,0,0]=3 3263 B15R1.9094 CC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000211941 [1,0,0,0,0,1|1,0,0]=3 3264 B15R1.9094 CC(C)(F)CNCC(O)c1ccccc1 2230a_100020643315_100000185958 [1,0,0,0,0,1|1,0,0]=3 3265 B15R1.9094 CC(C)(F)CNC[C@@H](O)c1ccccc1 2230a_100020643315_100011933945 [1,0,0,0,0,1|1,0,0]=3 3266 B15R1.9094 CC(C)(F)COCC(O)c1ccccc1 34a_100000716592_100000185958 [1,0,0,0,0,1|2,0,0]=4 3267 B15R1.9094 CC(C)(F)COC[C@@H](O)c1ccccc1 34a_100000716592_100011933945 [1,0,0,0,0,1|2,0,0]=4 3268 B15R1.9094 CC(C)(F)CSCC(O)c1ccccc1 62a_100000185958_100011997219 [1,0,0,0,0,1|2,0,0]=4 3269 B15R1.9094 CC(C)(F)CSCC(O)c1ccccc1 62a_100011997219_100000185958 [1,0,0,0,0,1|2,0,0]=4 3270 B15R1.9094 CC(C)(F)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011997219 [1,0,0,0,0,1|2,0,0]=4 3271 B15R1.9094 CC(C)(F)CSC[C@@H](O)c1ccccc1 62a_100011997219_100011933945 [1,0,0,0,0,1|2,0,0]=4 3272 B15R1.9094 CC(C)(O)CNCC(O)c1ccccc1 2230a_100000751335_100000185958 [1,0,0,0,0,1|0,0,0]=2 3273 B15R1.9094 CC(C)(O)CNC[C@@H](O)c1ccccc1 2230a_100000751335_100011933945 [1,0,0,0,0,1|0,0,0]=2 3274 B15R1.9094 CC(C)(O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000764493 [1,0,0,0,0,1|2,0,0]=4 3275 B15R1.9094 CC(C)(O)CSCC(O)c1ccccc1 62a_100000185958_100000764493 [1,0,0,0,0,1|1,0,0]=3 3276 B15R1.9094 CC(C)(O)CSCC(O)c1ccccc1 62a_100000764493_100000185958 [1,0,0,0,0,1|1,0,0]=3 3277 B15R1.9094 CC(C)(O)CSC[C@@H](O)c1ccccc1 62a_100000764493_100011933945 [1,0,0,0,0,1|1,0,0]=3 3278 B15R1.9094 CC(C)(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000764493 [1,0,0,0,0,1|1,0,0]=3 3279 B15R1.9094 CC(C=NNC(C)(C)C)c1ccccc1 4a_100000725372_100000212034 [1,0,0,0,0,1|1,0,1]=4 3280 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 2230a_100000743828_100000756946 [1,0,0,0,0,1|1,0,0]=3 3281 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 270004a_100000701038_100011204126 [1,0,0,0,0,1|1,0,0]=3 3282 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 270004a_100000743828_100000212034 [1,0,0,0,0,1|1,0,0]=3 3283 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 34a_100000701038_100011219605 [1,0,0,0,0,1|1,0,0]=3 3284 B15R1.9094 CC(CNCC(C)(C)F)c1ccccc1 2230a_100020643315_100000756946 [1,0,0,0,0,1|2,0,0]=4 3285 B15R1.9094 CC(CNCC(C)(C)F)c1ccccc1 270004a_100020643315_100000212034 [1,0,0,0,0,1|2,0,0]=4 3286 B15R1.9094 CC(CNCC(C)(C)F)c1ccccc1 34a_100000701038_100011997219 [1,0,0,0,0,1|2,0,0]=4 3287 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 2230a_100000751335_100000756946 [1,0,0,0,0,1|1,0,0]=3 3288 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 270004a_100000751335_100000212034 [1,0,0,0,0,1|1,0,0]=3 3289 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 34a_100000701038_100000764493 [1,0,0,0,0,1|1,0,0]=3 3290 B15R1.9094 CC(CNC[Si](C)(C)C)c1ccccc1 2230a_100000701038_100000037933 [1,0,0,0,0,1|1,1,0]=4 3291 B15R1.9094 CC(COCC(C)(C)C)c1ccccc1 34a_100011215166_100011219605 [1,0,0,0,0,1|2,0,0]=4 3292 B15R1.9094 CC(COCC(C)(C)O)c1ccccc1 34a_100011215166_100000764493 [1,0,0,0,0,1|2,0,0]=4 3293 B15R1.9094 CC(COCC(C)(C)O)c1ccccc1 7a_100011215166_100000764493 [1,0,0,0,0,1|2,0,0]=4 3294 B15R1.9094 CC(CSCC(C)(C)C)c1ccccc1 62a_100000756946_100011219605 [1,0,0,0,0,1|2,0,0]=4 3295 B15R1.9094 CC(CSCC(C)(C)C)c1ccccc1 62a_100011219605_100000756946 [1,0,0,0,0,1|2,0,0]=4 3296 B15R1.9094 CC(CSCC(C)(C)O)c1ccccc1 62a_100000756946_100000764493 [1,0,0,0,0,1|2,0,0]=4 3297 B15R1.9094 CC(CSCC(C)(C)O)c1ccccc1 62a_100000764493_100000756946 [1,0,0,0,0,1|2,0,0]=4 3298 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 2230a_100000738805_100000230085 [1,0,0,0,0,1|2,0,0]=4 3299 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 269862a_100000738805_100000185851 [1,0,0,0,0,1|2,0,0]=4 3300 B15R1.9094 CC(NCCC(C)(C)O)c1ccccc1 269862a_100000707701_100000185851 [1,0,0,0,0,1|2,0,0]=4 3301 B15R1.9094 CC(OCCC(C)(C)C)c1ccccc1 7a_100000765024_100000230085 [1,0,0,0,0,1|2,0,0]=4 3302 B15R1.9094 CC(SCCC(C)(C)C)c1ccccc1 62a_100000230085_100000755188 [1,0,0,0,0,1|2,0,0]=4 3303 B15R1.9094 CC(SCCC(C)(C)C)c1ccccc1 62a_100000755188_100000230085 [1,0,0,0,0,1|2,0,0]=4 3304 B15R1.9094 CC(SCCC(C)(C)O)c1ccccc1 62a_100000230085_100000702414 [1,0,0,0,0,1|2,0,0]=4 3305 B15R1.9094 CC(SCCC(C)(C)O)c1ccccc1 62a_100000702414_100000230085 [1,0,0,0,0,1|2,0,0]=4 3306 B15R1.9094 C[C@@H](NCCC(C)(C)C)c1ccccc1 2230a_100000751104_100000755188 [1,0,0,0,0,1|2,0,0]=4 3307 B15R1.9094 C[C@@H](NCCC(C)(C)O)c1ccccc1 2230a_100000751104_100000702414 [1,0,0,0,0,1|2,0,0]=4 3308 B15R1.9094 C[C@@H](OCCC(C)(C)C)c1ccccc1 34a_100000761318_100000755188 [1,0,0,0,0,1|2,0,0]=4 3309 B15R1.9094 C[C@@H](OCCC(C)(C)C)c1ccccc1 7a_100000761318_100000755188 [1,0,0,0,0,1|2,0,0]=4 3310 B15R1.9094 C[C@@H](OCCC(C)(C)O)c1ccccc1 34a_100000761318_100000702414 [1,0,0,0,0,1|2,0,0]=4 3311 B15R1.9094 C[C@@H](OCCC(C)(C)O)c1ccccc1 7a_100000761318_100000702414 [1,0,0,0,0,1|2,0,0]=4 3312 B15R1.9094 C[N+](C)(C)CSCC(O)c1ccccc1 62a_100000185958_200000036245 [1,0,0,0,0,1|2,0,0]=4 3313 B15R1.9094 C[N+](C)(C)CSCC(O)c1ccccc1 62a_200000036245_100000185958 [1,0,0,0,0,1|2,0,0]=4 3314 B15R1.9094 C[N+](C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_200000036245 [1,0,0,0,0,1|2,0,0]=4 3315 B15R1.9094 C[N+](C)(C)CSC[C@@H](O)c1ccccc1 62a_200000036245_100011933945 [1,0,0,0,0,1|2,0,0]=4 3316 B15R1.9094 C[Si](C)(C)CNCC(O)c1ccccc1 2230a_100000210709_100000037933 [1,0,0,0,0,1|0,1,0]=3 3317 B15R1.9094 C[Si](C)(C)CNCC(O)c1ccccn1 2230a_100000691469_100000037933 [1,0,0,0,0,1|1,1,0]=4 3318 B15R1.9094 C[Si](C)(C)CNCC(O)c1cccnc1 2230a_100020605170_100000037933 [1,0,0,0,0,1|1,1,0]=4 3319 B15R1.9094 C[Si](C)(C)CSCC(O)c1ccccc1 62a_100000037933_100000185958 [1,0,0,0,0,1|1,1,0]=4 3320 B15R1.9094 C[Si](C)(C)CSCC(O)c1ccccc1 62a_100000185958_100000037933 [1,0,0,0,0,1|1,1,0]=4 3321 B15R1.9094 C[Si](C)(C)CSC[C@@H](O)c1ccccc1 62a_100000037933_100011933945 [1,0,0,0,0,1|1,1,0]=4 3322 B15R1.9094 C[Si](C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000037933 [1,0,0,0,0,1|1,1,0]=4 3323 B15R1.9108 CC(C)(C)NCC(=O)Cc1ccccc1 2230a_100000715429_100000233483 [1,0,0,0,0,1|0,0,2]=4 3324 B15R1.9108 CC(C)(C)NCC(=O)Nc1ccccc1 2230a_100000715429_100000182850 [1,0,0,0,0,1|0,0,2]=4 3325 B15R1.9108 CC(C)(C)NCC(=O)Oc1ccccc1 2230a_100000715429_100009813826 [1,0,0,0,0,1|0,0,2]=4 3326 B15R1.9108 CC(C)(C)NC[C@@H](O)Cc1ccccc1 2230a_100000715429_100000729385 [1,0,0,0,0,1|0,0,0]=2 3327 B15R1.9108 CC(C)(C)OCC(N)Cc1ccccc1 34a_100000739027_100000210625 [1,0,0,0,0,1|2,0,0]=4 3328 B15R1.9108 CC(C)(C)OC[C@@H](O)Cc1ccccc1 34a_100015890283_100000729385 [1,0,0,0,0,1|1,0,0]=3 3329 B15R1.9108 CC(C)(C)OC[C@@H](O)Cc1ccccc1 7a_100015890283_100000729385 [1,0,0,0,0,1|1,0,0]=3 3330 B15R1.9108 CC(C)(C)SC[C@@H](O)Cc1ccccc1 62a_100000211941_100000729385 [1,0,0,0,0,1|1,0,0]=3 3331 B15R1.9108 CC(C)(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000211941 [1,0,0,0,0,1|1,0,0]=3 3332 B15R1.9108 CC(CNC(C)(C)C)Oc1ccccc1 34a_100000755676_100000210625 [1,0,0,0,0,1|1,0,0]=3 3333 B15R1.9108 CC(COC(C)(C)C)Cc1ccccc1 34a_100012125295_100000210625 [1,0,0,0,0,1|2,0,0]=4 3334 B15R1.9108 CC(COC(C)(C)C)Oc1ccccc1 34a_200000036796_100000210625 [1,0,0,0,0,1|2,0,0]=4 3335 B15R1.328 CC(C)(CO)CNCC(O)c1ccsc1 34a_100000758718_100009813988 [0,0,0,0,1,1|1,0,0]=3 3336 B17R1.396 CC(C)(CCl)COCC[C@@H](O)c1ccccc1 7a_100011217199_100000729684 [0,0,0,0,0,2|2,0,0]=4 3337 B17R1.396 CC(C)(CO)CNCCC(=O)c1ccccc1 2230a_100020635058_100000750707 [0,0,0,0,0,2|0,0,2]=4 3338 B17R1.396 CC(C)(CO)CNCCS(=O)c1ccccc1 2230a_100020635058_100000740319 [0,0,0,0,0,2|1,0,1]=4 3339 B17R1.396 CC(C)(CO)CNCC[C@@H](O)c1ccccc1 2230a_100020635058_100000729684 [0,0,0,0,0,2|0,0,0]=2 3340 B17R1.396 CC(C)(CO)COCC[C@H](N)c1ccccc1 34a_100025705951_100009813988 [0,0,0,0,0,2|2,0,0]=4 3341 B17R1.396 CC(C)(CO)CSCC[C@@H](O)c1ccccc1 62a_100000729684_100009813988 [0,0,0,0,0,2|1,0,0]=3 3342 B17R1.396 CC(C)(CO)CSCC[C@@H](O)c1ccccc1 62a_100009813988_100000729684 [0,0,0,0,0,2|1,0,0]=3 3343 B17R1.396 CC(C)(CO)NCCCC(=O)c1ccccc1 2230a_100000210608_100000211006 [0,0,0,0,0,2|0,0,2]=4 3344 B17R1.396 CC(CCNCC(C)(C)CO)c1ccccc1 270004a_100020635058_100000189432 [0,0,0,0,0,2|1,0,0]=3 3345 B17R1.396 CC(NCCCC(C)(C)CO)c1ccccc1 2230a_100000039164_100000230085 [0,0,0,0,0,2|2,0,0]=4 3346 B17R1.396 CC(NCCCC(C)(C)CO)c1ccccc1 269862a_100000039164_100000185851 [0,0,0,0,0,2|2,0,0]=4 3347 B17R1.396 CCC(C)(C)COCC[C@@H](O)c1ccccc1 7a_100000765029_100000729684 [0,0,0,0,0,2|2,0,0]=4 3348 B17R1.396 COC(C)(C)CNCC[C@@H](O)c1ccccc1 2230a_100000763424_100000729684 [0,0,0,0,0,2|2,0,0]=4 3349 B17R1.396 CSC(C)(C)CNCCC(O)c1ccccc1 270004a_100000763605_100009845794 [0,0,0,0,0,2|2,0,0]=4 3350 B17R1.13073 CC(C)(CCl)COC[C@@H](O)Cc1ccccc1 7a_100011217199_100000729385 [0,0,0,0,0,2|2,0,0]=4 3351 B17R1.13073 CC(C)(CO)CNCC(=O)Cc1ccccc1 2230a_100020635058_100000233483 [0,0,0,0,0,2|0,0,2]=4 3352 B17R1.13073 CC(C)(CO)CNCC(=O)Nc1ccccc1 2230a_100020635058_100000182850 [0,0,0,0,0,2|0,0,2]=4 3353 B17R1.13073 CC(C)(CO)CNCC(=O)Oc1ccccc1 2230a_100020635058_100009813826 [0,0,0,0,0,2|0,0,2]=4 3354 B17R1.13073 CC(C)(CO)CNC[C@@H](O)Cc1ccccc1 2230a_100020635058_100000729385 [0,0,0,0,0,2|0,0,0]=2 3355 B17R1.13073 CC(C)(CO)COCC(N)Cc1ccccc1 34a_100000739027_100009813988 [0,0,0,0,0,2|2,0,0]=4 3356 B17R1.13073 CC(C)(CO)CSC[C@@H](O)Cc1ccccc1 62a_100000729385_100009813988 [0,0,0,0,0,2|1,0,0]=3 3357 B17R1.13073 CC(C)(CO)CSC[C@@H](O)Cc1ccccc1 62a_100009813988_100000729385 [0,0,0,0,0,2|1,0,0]=3 3358 B17R1.13073 CC(C)(CO)NCCC(=O)Nc1ccccc1 2230a_100000210608_100000242058 [0,0,0,0,0,2|0,0,2]=4 3359 B17R1.13073 CC(C)(CO)NCCC(=O)Oc1ccccc1 2230a_100000210608_200000035796 [0,0,0,0,0,2|0,0,2]=4 3360 B17R1.13073 CC(CNCC(C)(C)CO)Oc1ccccc1 34a_100000755676_100009813988 [0,0,0,0,0,2|1,0,0]=3 3361 B17R1.13073 CC(COCC(C)(C)CO)Cc1ccccc1 34a_100012125295_100009813988 [0,0,0,0,0,2|2,0,0]=4 3362 B17R1.13073 CC(COCC(C)(C)CO)Cc1ccccc1 7a_100012125295_100009813988 [0,0,0,0,0,2|2,0,0]=4 3363 B17R1.13073 CC(COCC(C)(C)CO)Oc1ccccc1 34a_200000036796_100009813988 [0,0,0,0,0,2|2,0,0]=4 3364 B17R1.13073 CC(COCC(C)(C)CO)Oc1ccccc1 7a_200000036796_100009813988 [0,0,0,0,0,2|2,0,0]=4 3365 B17R1.13073 CCC(C)(C)COC[C@@H](O)Cc1ccccc1 7a_100000765029_100000729385 [0,0,0,0,0,2|2,0,0]=4 3366 B17R1.13073 CN(CCNC(C)(C)CO)Cc1ccccc1 2230a_100000210608_100015196923 [0,0,0,0,0,2|2,0,0]=4 3367 B17R1.13073 COC(C)(C)CNC[C@@H](O)Cc1ccccc1 2230a_100000763424_100000729385 [0,0,0,0,0,2|2,0,0]=4 3368 B17R1.13073 CSC(C)(C)CNCC(O)Cc1ccccc1 270004a_100000752270_100009845794 [0,0,0,0,0,2|2,0,0]=4 3369 B17R1.13184 C#CC(C)(C)NCC(O)COc1ccccc1 34a_100000738913_100000038118 [0,0,0,0,0,2|1,0,1]=4 3370 B17R1.13184 CC(C)(C#N)NCC(O)COc1ccccc1 34a_100000738913_100011162410 [0,0,0,0,0,2|1,0,1]=4 3371 B17R1.13184 CC(C)(CO)NCC(=O)CCc1ccccc1 2230a_100000210608_100012361361 [0,0,0,0,0,2|0,0,2]=4 3372 B17R1.13184 CC(C)(CO)NCC(=O)NCc1ccccc1 2230a_100000210608_100000183539 [0,0,0,0,0,2|0,0,2]=4 3373 B17R1.13184 CC(C)(CO)NCC(=O)OCc1ccccc1 2230a_100000210608_100000753625 [0,0,0,0,0,2|0,0,2]=4