0 B15R1.889 CC(=CCC(=O)c1ccc(c(c1)O)O)C 1458a_100000212155_100000761012 [0,0,0,0,0,0|1,0,3]=4 1 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)Br)O 4a_100000741168_100011772453 [0,0,0,0,0,0|3,0,1]=4 2 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)C)O 4a_100000741168_100000188726 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)Cl)O 4a_100000741168_100000188625 [0,0,0,0,0,0|3,0,1]=4 4 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)F)O 4a_100000741168_100000751691 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)O)C 4a_100000741168_100000084092 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)O)F 4a_100000741168_100000117923 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.889 CC(=NNC(C)C)c1ccc(c(c1)O)O 4a_100000741168_100000025746 [0,0,0,0,0,0|2,0,1]=3 8 B15R1.889 CC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100103153847 [0,0,0,0,0,0|1,0,1]=2 9 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210312 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210312 [0,0,0,0,0,0|2,0,2]=4 11 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210312 [0,0,0,0,0,0|2,0,2]=4 12 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210312 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210312 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210312 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210312 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210312 [0,0,0,0,0,0|2,0,2]=4 17 B15R1.889 CC(C)CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210312 [0,0,0,0,0,0|1,0,2]=3 18 B15R1.889 CC(C)CNC(C)c1ccc(c(c1)Br)O 269862a_100000210953_100011772453 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.889 CC(C)CNC(C)c1ccc(c(c1)Cl)O 269862a_100000210953_100000188625 [0,0,0,0,0,0|4,0,0]=4 20 B15R1.889 CC(C)CNC(C)c1ccc(c(c1)F)O 269862a_100000210953_100000751691 [0,0,0,0,0,0|4,0,0]=4 21 B15R1.889 CC(C)CNC(C)c1ccc(c(c1)O)F 269862a_100000210953_100000117923 [0,0,0,0,0,0|4,0,0]=4 22 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Br)F 2230a_100138425928_100011217175 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Br)F 34a_100138425928_100011217175 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Cl)Br 2230a_100138425928_200012349649 [0,0,0,0,0,0|2,0,2]=4 25 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Cl)Br 34a_100138425928_200012349649 [0,0,0,0,0,0|2,0,2]=4 26 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100138425928_100000211430 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Cl)F 2230a_100138425928_100000757878 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)Cl)F 34a_100138425928_100000757878 [0,0,0,0,0,0|2,0,2]=4 29 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)F)Br 2230a_100138425928_100012361357 [0,0,0,0,0,0|2,0,2]=4 30 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)F)Br 34a_100138425928_100012361357 [0,0,0,0,0,0|2,0,2]=4 31 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)F)Cl 2230a_100138425928_100012351892 [0,0,0,0,0,0|2,0,2]=4 32 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)F)Cl 34a_100138425928_100012351892 [0,0,0,0,0,0|2,0,2]=4 33 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)F)F 2230a_100138425928_100000183380 [0,0,0,0,0,0|2,0,2]=4 34 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)F)F 34a_100138425928_100000183380 [0,0,0,0,0,0|2,0,2]=4 35 B15R1.889 CC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210206 [0,0,0,0,0,0|0,0,0]=0 36 B15R1.889 CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100138425928_100000761251 [0,0,0,0,0,0|2,0,0]=2 37 B15R1.889 CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100138425928_100000761251 [0,0,0,0,0,0|2,0,0]=2 38 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)Br)O 22a_100000741168_100000189672 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)Cl)O 22a_100000741168_100000212196 [0,0,0,0,0,0|2,0,2]=4 40 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)F)O 22a_100000741168_100000185466 [0,0,0,0,0,0|2,0,2]=4 41 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)I)O 22a_100000741168_100000037485 [0,0,0,0,0,0|2,0,2]=4 42 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)O)Br 22a_100000741168_100000689001 [0,0,0,0,0,0|2,0,2]=4 43 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)O)Cl 22a_100000741168_100011933997 [0,0,0,0,0,0|2,0,2]=4 44 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)O)F 22a_100000741168_100000035894 [0,0,0,0,0,0|2,0,2]=4 45 B15R1.889 CC(C)NNC(=O)c1ccc(c(c1)O)I 22a_100000741168_100000239334 [0,0,0,0,0,0|2,0,2]=4 46 B15R1.889 CC(C)OCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_100000210206 [0,0,0,0,0,0|4,0,0]=4 47 B15R1.889 CC(C)OC[C@@H](O)c1ccc(c(c1)F)F 34a_100000212225_100000761251 [0,0,0,0,0,0|3,0,0]=3 48 B15R1.889 CC(C)SCC(=O)c1ccc(c(c1)Cl)O 62a_100000210206_200010170092 [0,0,0,0,0,0|2,0,2]=4 49 B15R1.889 CC(C)SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_100000210206 [0,0,0,0,0,0|2,0,2]=4 50 B15R1.889 CC(C)SCC(=O)c1ccc(c(c1)O)O 62a_100000210206_100000183813 [0,0,0,0,0,0|1,0,2]=3 51 B15R1.889 CC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210206_100000761251 [0,0,0,0,0,0|3,0,0]=3 52 B15R1.889 CC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210206 [0,0,0,0,0,0|3,0,0]=3 53 B15R1.889 CC(O)CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100012276601 [0,0,0,0,0,0|2,0,2]=4 54 B15R1.889 Cc1cc(ccc1O)C(=O)CCC(C)C 1458a_100000685612_100000210312 [0,0,0,0,0,0|2,0,2]=4 55 B15R1.889 Cc1cc(ccc1O)C(=O)NNC(C)C 22a_100000741168_100000685612 [0,0,0,0,0,0|2,0,2]=4 56 B15R1.889 Cc1cc(ccc1O)C(C)NCC(C)C 269862a_100000210953_100000188726 [0,0,0,0,0,0|4,0,0]=4 57 B15R1.889 Cc1ccc(cc1Br)C(=O)CNC(C)C 2230a_100138425928_100012346676 [0,0,0,0,0,0|2,0,2]=4 58 B15R1.889 Cc1ccc(cc1Br)C(=O)CNC(C)C 34a_100138425928_100012346676 [0,0,0,0,0,0|2,0,2]=4 59 B15R1.889 Cc1ccc(cc1C)C(=O)CNC(C)C 2230a_100138425928_100000183365 [0,0,0,0,0,0|2,0,2]=4 60 B15R1.889 Cc1ccc(cc1F)C(=O)CNC(C)C 2230a_100138425928_100011219196 [0,0,0,0,0,0|2,0,2]=4 61 B15R1.889 Cc1ccc(cc1F)C(=O)CNC(C)C 34a_100138425928_100011219196 [0,0,0,0,0,0|2,0,2]=4 62 B15R1.889 Cc1ccc(cc1O)C(=O)CCC(C)C 1458a_100000233767_100000210312 [0,0,0,0,0,0|2,0,2]=4 63 B15R1.889 Cc1ccc(cc1O)C(=O)NNC(C)C 22a_100000741168_100000233767 [0,0,0,0,0,0|2,0,2]=4 64 B15R1.889 Cc1ccc(cc1O)C(C)NCC(C)C 269862a_100000210953_100000084092 [0,0,0,0,0,0|4,0,0]=4 65 B14R1.149 CC(=NNC(C)C)c1cccc(c1)O 4a_100000741168_100000211620 [1,0,0,0,0,0|2,0,1]=4 66 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100015343762 [1,0,0,0,0,0|1,0,1]=3 67 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100103153847 [1,0,0,0,0,0|1,0,1]=3 68 B14R1.149 CC(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210312 [1,0,0,0,0,0|1,0,2]=4 69 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 2230a_100000756613_100000210312 [1,0,0,0,0,0|3,0,0]=4 70 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 269982a_100000756613_100000210312 [1,0,0,0,0,0|3,0,0]=4 71 B14R1.149 CC(C)CCN(C)c1cccc(c1)O 34a_100000756613_100000210312 [1,0,0,0,0,0|3,0,0]=4 72 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 2230a_100000740644_100000210760 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 269862a_100000210953_100000211620 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.149 CC(C)CNC(C)c1cccc(c1)O 270004a_100000740644_100000210432 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 2230a_100138425928_100000212080 [1,0,0,0,0,0|1,0,2]=4 76 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 34a_100138425928_100000212080 [1,0,0,0,0,0|1,0,2]=4 77 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 2230a_100138425928_100000211444 [1,0,0,0,0,0|1,0,2]=4 78 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 34a_100138425928_100000211444 [1,0,0,0,0,0|1,0,2]=4 79 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 2230a_100138425928_100000215616 [1,0,0,0,0,0|1,0,2]=4 80 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 34a_100138425928_100000215616 [1,0,0,0,0,0|1,0,2]=4 81 B14R1.149 CC(C)NCC(=O)c1cccc(c1)O 34a_100138425928_100009813753 [1,0,0,0,0,0|0,0,2]=3 82 B14R1.149 CC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_100000210206 [1,0,0,0,0,0|0,0,0]=1 83 B14R1.149 CC(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210206 [1,0,0,0,0,0|0,0,0]=1 84 B14R1.149 CC(C)NNC(=O)c1cccc(c1)O 22a_100000741168_100000183914 [1,0,0,0,0,0|1,0,2]=4 85 B14R1.149 CC(C)OCC(=O)c1cccc(c1)O 34a_100000212225_100009813753 [1,0,0,0,0,0|1,0,2]=4 86 B14R1.149 CC(C)OCC(N)c1cccc(c1)Br 34a_100000690078_100000210206 [1,0,0,0,0,0|3,0,0]=4 87 B14R1.149 CC(C)OCN(C)c1cccc(c1)O 2230a_100000756613_100000709892 [1,0,0,0,0,0|3,0,0]=4 88 B14R1.149 CC(C)OCN(C)c1cccc(c1)O 269982a_100000756613_100000709892 [1,0,0,0,0,0|3,0,0]=4 89 B14R1.149 CC(C)OCN(C)c1cccc(c1)O 34a_100000756613_100000709892 [1,0,0,0,0,0|3,0,0]=4 90 B14R1.149 CC(C)OC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210206 [1,0,0,0,0,0|3,0,0]=4 91 B14R1.149 CC(C)OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210206 [1,0,0,0,0,0|3,0,0]=4 92 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100000210206_100009813753 [1,0,0,0,0,0|1,0,2]=4 93 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100009813753_100000210206 [1,0,0,0,0,0|1,0,2]=4 94 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 2230a_100138425928_100000739480 [1,0,0,0,0,0|1,0,2]=4 95 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000739480 [1,0,0,0,0,0|1,0,2]=4 96 B14R1.149 Cc1cccc(c1)[C@H](N)COC(C)C 34a_100009818812_100000210206 [1,0,0,0,0,0|3,0,0]=4 97 B14R1.678 CC(=NNC(C)C)c1ccc(cc1)O 4a_100000741168_100000185113 [1,0,0,0,0,0|2,0,1]=4 98 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [1,0,0,0,0,0|2,0,1]=4 99 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100015343762 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100103153847 [1,0,0,0,0,0|2,0,1]=4 102 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100015343762 [1,0,0,0,0,0|2,0,1]=4 103 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100103153847 [1,0,0,0,0,0|2,0,1]=4 104 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100015343762 [1,0,0,0,0,0|2,0,1]=4 105 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100015343762 [1,0,0,0,0,0|2,0,1]=4 106 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100103153847 [1,0,0,0,0,0|2,0,1]=4 107 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100015343762 [1,0,0,0,0,0|1,0,1]=3 108 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210312 [1,0,0,0,0,0|1,0,2]=4 109 B14R1.678 CC(C)CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210312 [1,0,0,0,0,0|3,0,0]=4 110 B14R1.678 CC(C)CCN(C)c1ccc(cc1)O 34a_100000182112_100000210312 [1,0,0,0,0,0|3,0,0]=4 111 B14R1.678 CC(C)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210760 [1,0,0,0,0,0|3,0,0]=4 112 B14R1.678 CC(C)CN[C@@H](C)c1ccc(cc1)O 270004a_100161106496_100000210432 [1,0,0,0,0,0|3,0,0]=4 113 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)Br 34a_100138425928_100000188085 [1,0,0,0,0,0|1,0,2]=4 114 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)I 34a_100138425928_100011216261 [1,0,0,0,0,0|1,0,2]=4 115 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)O 34a_100138425928_100009814261 [1,0,0,0,0,0|0,0,2]=3 116 B14R1.678 CC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100000210206 [1,0,0,0,0,0|1,0,0]=2 117 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210206 [1,0,0,0,0,0|1,0,0]=2 118 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000210206 [1,0,0,0,0,0|1,0,0]=2 119 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210206 [1,0,0,0,0,0|1,0,0]=2 120 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100138425928_200011996143 [1,0,0,0,0,0|1,0,0]=2 121 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210206 [1,0,0,0,0,0|1,0,0]=2 122 B14R1.678 CC(C)NCC(O)c1ccc(cc1)Cl 34a_100138425928_200011996143 [1,0,0,0,0,0|1,0,0]=2 123 B14R1.678 CC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000210206 [1,0,0,0,0,0|0,0,0]=1 124 B14R1.678 CC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100138425928_100000720402 [1,0,0,0,0,0|1,0,0]=2 125 B14R1.678 CC(C)NC[C@H](O)c1ccc(cc1)F 34a_100138425928_100000720402 [1,0,0,0,0,0|1,0,0]=2 126 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)O 22a_100000741168_100000212099 [1,0,0,0,0,0|1,0,2]=4 127 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)O 34a_100000212225_100009814261 [1,0,0,0,0,0|1,0,2]=4 128 B14R1.678 CC(C)OCC(N)c1ccc(cc1)Br 34a_100000734186_100000210206 [1,0,0,0,0,0|3,0,0]=4 129 B14R1.678 CC(C)OCC(N)c1ccc(cc1)F 34a_100000705410_100000210206 [1,0,0,0,0,0|3,0,0]=4 130 B14R1.678 CC(C)OCC(O)c1ccc(cc1)Cl 34a_100000212225_200011996143 [1,0,0,0,0,0|2,0,0]=3 131 B14R1.678 CC(C)OCN(C)c1ccc(cc1)O 269982a_100000182112_100000709892 [1,0,0,0,0,0|3,0,0]=4 132 B14R1.678 CC(C)OCN(C)c1ccc(cc1)O 34a_100000182112_100000709892 [1,0,0,0,0,0|3,0,0]=4 133 B14R1.678 CC(C)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210206 [1,0,0,0,0,0|3,0,0]=4 134 B14R1.678 CC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000212225_100000720402 [1,0,0,0,0,0|2,0,0]=3 135 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100000210206_100009814261 [1,0,0,0,0,0|1,0,2]=4 136 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100009814261_100000210206 [1,0,0,0,0,0|1,0,2]=4 137 B14R1.678 CC(C)SCC(O)c1ccc(cc1)Cl 62a_100000210206_200011996143 [1,0,0,0,0,0|2,0,0]=3 138 B14R1.678 CC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210206 [1,0,0,0,0,0|2,0,0]=3 139 B14R1.678 CC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000210206_100000720402 [1,0,0,0,0,0|2,0,0]=3 140 B14R1.678 CC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210206 [1,0,0,0,0,0|2,0,0]=3 141 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 2230a_100138425928_100000211441 [1,0,0,0,0,0|1,0,2]=4 142 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 34a_100138425928_100000211441 [1,0,0,0,0,0|1,0,2]=4 143 B14R1.678 Cc1ccc(cc1)C(O)CNC(C)C 2230a_200020610344_100000210206 [1,0,0,0,0,0|1,0,0]=2 144 B14R1.678 Cc1ccc(cc1)C(O)CNC(C)C 34a_200020610344_100000210206 [1,0,0,0,0,0|1,0,0]=2 145 B14R1.678 Cc1ccc(cc1)[C@@H](N)COC(C)C 34a_100009818840_100000210206 [1,0,0,0,0,0|3,0,0]=4 146 B14R1.687 CC(=CCNc1ccc(c(c1)O)O)C 34a_100102946323_100000761012 [1,0,0,0,0,0|2,0,1]=4 147 B14R1.687 CC(=CCSc1ccc(c(c1)O)O)C 62a_100000761012_100009813601 [1,0,0,0,0,0|2,0,1]=4 148 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 240690a_100000210387_100015343762 [1,0,0,0,0,0|1,0,1]=3 149 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 527a_100000210387_100103153847 [1,0,0,0,0,0|1,0,1]=3 150 B14R1.687 CC(C)CC=Cc1ccc(c(c1)O)O 271570a_100016259101_100009813601 [1,0,0,0,0,0|1,0,2]=4 151 B14R1.687 CC(C)CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210312 [1,0,0,0,0,0|3,0,0]=4 152 B14R1.687 CC(C)CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210312 [1,0,0,0,0,0|3,0,0]=4 153 B14R1.687 CC(C)CCNc1ccc(c(c1)F)O 34a_100011220035_100000210312 [1,0,0,0,0,0|3,0,0]=4 154 B14R1.687 CC(C)CCNc1ccc(c(c1)F)O 7a_100011220035_100000210626 [1,0,0,0,0,0|3,0,0]=4 155 B14R1.687 CC(C)CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210312 [1,0,0,0,0,0|3,0,0]=4 156 B14R1.687 CC(C)CCNc1ccc(c(c1)O)F 34a_100012017398_100000210312 [1,0,0,0,0,0|3,0,0]=4 157 B14R1.687 CC(C)CCNc1ccc(c(c1)O)F 7a_100012017398_100000210626 [1,0,0,0,0,0|3,0,0]=4 158 B14R1.687 CC(C)CCNc1ccc(c(c1)O)O 34a_100102946323_100000210312 [1,0,0,0,0,0|2,0,0]=3 159 B14R1.687 CC(C)CCSc1ccc(c(c1)Br)O 62a_100000210312_100012361655 [1,0,0,0,0,0|3,0,0]=4 160 B14R1.687 CC(C)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210312 [1,0,0,0,0,0|3,0,0]=4 161 B14R1.687 CC(C)CCSc1ccc(c(c1)Cl)O 62a_100000210312_100012360047 [1,0,0,0,0,0|3,0,0]=4 162 B14R1.687 CC(C)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210312 [1,0,0,0,0,0|3,0,0]=4 163 B14R1.687 CC(C)CCSc1ccc(c(c1)F)O 62a_100000185481_100000210312 [1,0,0,0,0,0|3,0,0]=4 164 B14R1.687 CC(C)CCSc1ccc(c(c1)F)O 62a_100000210312_100000185481 [1,0,0,0,0,0|3,0,0]=4 165 B14R1.687 CC(C)CCSc1ccc(c(c1)N)O 62a_100000210312_100000752626 [1,0,0,0,0,0|3,0,0]=4 166 B14R1.687 CC(C)CCSc1ccc(c(c1)N)O 62a_100000752626_100000210312 [1,0,0,0,0,0|3,0,0]=4 167 B14R1.687 CC(C)CCSc1ccc(c(c1)O)Br 62a_100000210312_100012356990 [1,0,0,0,0,0|3,0,0]=4 168 B14R1.687 CC(C)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210312 [1,0,0,0,0,0|3,0,0]=4 169 B14R1.687 CC(C)CCSc1ccc(c(c1)O)Cl 62a_100000210312_100011356854 [1,0,0,0,0,0|3,0,0]=4 170 B14R1.687 CC(C)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210312 [1,0,0,0,0,0|3,0,0]=4 171 B14R1.687 CC(C)CCSc1ccc(c(c1)O)F 62a_100000210312_100000686035 [1,0,0,0,0,0|3,0,0]=4 172 B14R1.687 CC(C)CCSc1ccc(c(c1)O)F 62a_100000686035_100000210312 [1,0,0,0,0,0|3,0,0]=4 173 B14R1.687 CC(C)CCSc1ccc(c(c1)O)N 62a_100000210312_100000739049 [1,0,0,0,0,0|3,0,0]=4 174 B14R1.687 CC(C)CCSc1ccc(c(c1)O)N 62a_100000739049_100000210312 [1,0,0,0,0,0|3,0,0]=4 175 B14R1.687 CC(C)CCSc1ccc(c(c1)O)O 62a_100000210312_100009813601 [1,0,0,0,0,0|2,0,0]=3 176 B14R1.687 CC(C)CNCc1ccc(c(c1)F)O 270004a_100000758358_100000210432 [1,0,0,0,0,0|3,0,0]=4 177 B14R1.687 CC(C)CNCc1ccc(c(c1)F)O 34a_100000758358_100000210624 [1,0,0,0,0,0|3,0,0]=4 178 B14R1.687 CC(C)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210624 [1,0,0,0,0,0|3,0,0]=4 179 B14R1.687 CC(C)CNCc1ccc(c(c1)O)F 270004a_100160469508_100000210432 [1,0,0,0,0,0|3,0,0]=4 180 B14R1.687 CC(C)CNCc1ccc(c(c1)O)F 34a_100160469508_100000210624 [1,0,0,0,0,0|3,0,0]=4 181 B14R1.687 CC(C)CNCc1ccc(c(c1)O)O 34a_100000010075_100000210624 [1,0,0,0,0,0|2,0,0]=3 182 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210206 [1,0,0,0,0,0|2,0,0]=3 183 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100138425928_100011713676 [1,0,0,0,0,0|2,0,0]=3 184 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210206 [1,0,0,0,0,0|2,0,0]=3 185 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)Cl 34a_100138425928_100011713676 [1,0,0,0,0,0|2,0,0]=3 186 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)F 2230a_100138425928_100012361305 [1,0,0,0,0,0|2,0,0]=3 187 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210206 [1,0,0,0,0,0|2,0,0]=3 188 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)F 34a_100138425928_100012361305 [1,0,0,0,0,0|2,0,0]=3 189 B14R1.687 CC(C)NCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210206 [1,0,0,0,0,0|2,0,0]=3 190 B14R1.687 CC(C)NCCc1ccc(c(c1)F)F 2230a_100138425928_100000690553 [1,0,0,0,0,0|2,0,0]=3 191 B14R1.687 CC(C)NCCc1ccc(c(c1)F)F 2230a_200000706328_100000210206 [1,0,0,0,0,0|2,0,0]=3 192 B14R1.687 CC(C)NCCc1ccc(c(c1)F)F 34a_100138425928_100000690553 [1,0,0,0,0,0|2,0,0]=3 193 B14R1.687 CC(C)NCCc1ccc(c(c1)F)F 34a_200000706328_100000210206 [1,0,0,0,0,0|2,0,0]=3 194 B14R1.687 CC(C)NCCc1ccc(c(c1)O)O 34a_100000210387_100000210206 [1,0,0,0,0,0|0,0,0]=1 195 B14R1.687 CC(C)NN=Cc1ccc(c(c1)Br)O 4a_100000741168_100000184552 [1,0,0,0,0,0|2,0,1]=4 196 B14R1.687 CC(C)NN=Cc1ccc(c(c1)Cl)O 4a_100000741168_100000186751 [1,0,0,0,0,0|2,0,1]=4 197 B14R1.687 CC(C)NN=Cc1ccc(c(c1)F)O 4a_100000741168_100000742332 [1,0,0,0,0,0|2,0,1]=4 198 B14R1.687 CC(C)NN=Cc1ccc(c(c1)I)O 4a_100000741168_100000186752 [1,0,0,0,0,0|2,0,1]=4 199 B14R1.687 CC(C)NN=Cc1ccc(c(c1)O)Br 4a_100000741168_100010235083 [1,0,0,0,0,0|2,0,1]=4 200 B14R1.687 CC(C)NN=Cc1ccc(c(c1)O)Cl 4a_100000741168_100009876013 [1,0,0,0,0,0|2,0,1]=4 201 B14R1.687 CC(C)NN=Cc1ccc(c(c1)O)F 4a_100000741168_100000102368 [1,0,0,0,0,0|2,0,1]=4 202 B14R1.687 CC(C)NN=Cc1ccc(c(c1)O)I 4a_100000741168_100000041418 [1,0,0,0,0,0|2,0,1]=4 203 B14R1.687 CC(C)NN=Cc1ccc(c(c1)O)O 4a_100000741168_100000184535 [1,0,0,0,0,0|1,0,1]=3 204 B14R1.687 CC(C)OCCc1ccc(c(c1)Cl)Cl 34a_100000212225_100011713676 [1,0,0,0,0,0|3,0,0]=4 205 B14R1.687 CC(C)OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000210206 [1,0,0,0,0,0|3,0,0]=4 206 B14R1.687 CC(C)OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000210206 [1,0,0,0,0,0|3,0,0]=4 207 B14R1.687 CC(C)OCCc1ccc(c(c1)Cl)F 34a_100000212225_100012361305 [1,0,0,0,0,0|3,0,0]=4 208 B14R1.687 CC(C)OCCc1ccc(c(c1)Cl)F 34a_100011830478_100000210206 [1,0,0,0,0,0|3,0,0]=4 209 B14R1.687 CC(C)OCCc1ccc(c(c1)Cl)F 7a_100011830478_100000210206 [1,0,0,0,0,0|3,0,0]=4 210 B14R1.687 CC(C)OCCc1ccc(c(c1)F)Br 34a_100012921202_100000210206 [1,0,0,0,0,0|3,0,0]=4 211 B14R1.687 CC(C)OCCc1ccc(c(c1)F)Br 7a_100012921202_100000210206 [1,0,0,0,0,0|3,0,0]=4 212 B14R1.687 CC(C)OCCc1ccc(c(c1)F)Cl 34a_100011934464_100000210206 [1,0,0,0,0,0|3,0,0]=4 213 B14R1.687 CC(C)OCCc1ccc(c(c1)F)Cl 7a_100011934464_100000210206 [1,0,0,0,0,0|3,0,0]=4 214 B14R1.687 CC(C)OCCc1ccc(c(c1)F)F 34a_100000212225_100000690553 [1,0,0,0,0,0|3,0,0]=4 215 B14R1.687 CC(C)OCCc1ccc(c(c1)F)F 34a_100000690376_100000210206 [1,0,0,0,0,0|3,0,0]=4 216 B14R1.687 CC(C)OCCc1ccc(c(c1)F)F 7a_100000690376_100000210206 [1,0,0,0,0,0|3,0,0]=4 217 B14R1.687 CC(C)OCNc1ccc(c(c1)Br)O 34a_100011534360_100000709892 [1,0,0,0,0,0|3,0,0]=4 218 B14R1.687 CC(C)OCNc1ccc(c(c1)Cl)O 34a_100000744943_100000709892 [1,0,0,0,0,0|3,0,0]=4 219 B14R1.687 CC(C)OCNc1ccc(c(c1)F)O 34a_100011220035_100000709892 [1,0,0,0,0,0|3,0,0]=4 220 B14R1.687 CC(C)OCNc1ccc(c(c1)O)Cl 34a_100011934209_100000709892 [1,0,0,0,0,0|3,0,0]=4 221 B14R1.687 CC(C)OCNc1ccc(c(c1)O)F 34a_100012017398_100000709892 [1,0,0,0,0,0|3,0,0]=4 222 B14R1.687 CC(C)OCNc1ccc(c(c1)O)O 34a_100102946323_100000709892 [1,0,0,0,0,0|2,0,0]=3 223 B14R1.687 CC(C)OCSc1ccc(c(c1)Br)O 62a_100000709892_100012361655 [1,0,0,0,0,0|3,0,0]=4 224 B14R1.687 CC(C)OCSc1ccc(c(c1)Br)O 62a_100012361655_100000709892 [1,0,0,0,0,0|3,0,0]=4 225 B14R1.687 CC(C)OCSc1ccc(c(c1)Cl)O 62a_100000709892_100012360047 [1,0,0,0,0,0|3,0,0]=4 226 B14R1.687 CC(C)OCSc1ccc(c(c1)Cl)O 62a_100012360047_100000709892 [1,0,0,0,0,0|3,0,0]=4 227 B14R1.687 CC(C)OCSc1ccc(c(c1)F)O 62a_100000185481_100000709892 [1,0,0,0,0,0|3,0,0]=4 228 B14R1.687 CC(C)OCSc1ccc(c(c1)F)O 62a_100000709892_100000185481 [1,0,0,0,0,0|3,0,0]=4 229 B14R1.687 CC(C)OCSc1ccc(c(c1)N)O 62a_100000709892_100000752626 [1,0,0,0,0,0|3,0,0]=4 230 B14R1.687 CC(C)OCSc1ccc(c(c1)N)O 62a_100000752626_100000709892 [1,0,0,0,0,0|3,0,0]=4 231 B14R1.687 CC(C)OCSc1ccc(c(c1)O)Br 62a_100000709892_100012356990 [1,0,0,0,0,0|3,0,0]=4 232 B14R1.687 CC(C)OCSc1ccc(c(c1)O)Br 62a_100012356990_100000709892 [1,0,0,0,0,0|3,0,0]=4 233 B14R1.687 CC(C)OCSc1ccc(c(c1)O)Cl 62a_100000709892_100011356854 [1,0,0,0,0,0|3,0,0]=4 234 B14R1.687 CC(C)OCSc1ccc(c(c1)O)Cl 62a_100011356854_100000709892 [1,0,0,0,0,0|3,0,0]=4 235 B14R1.687 CC(C)OCSc1ccc(c(c1)O)F 62a_100000686035_100000709892 [1,0,0,0,0,0|3,0,0]=4 236 B14R1.687 CC(C)OCSc1ccc(c(c1)O)F 62a_100000709892_100000686035 [1,0,0,0,0,0|3,0,0]=4 237 B14R1.687 CC(C)OCSc1ccc(c(c1)O)N 62a_100000709892_100000739049 [1,0,0,0,0,0|3,0,0]=4 238 B14R1.687 CC(C)OCSc1ccc(c(c1)O)N 62a_100000739049_100000709892 [1,0,0,0,0,0|3,0,0]=4 239 B14R1.687 CC(C)OCSc1ccc(c(c1)O)O 62a_100000709892_100009813601 [1,0,0,0,0,0|2,0,0]=3 240 B14R1.687 CC(C)SCCc1ccc(c(c1)Cl)Cl 62a_100000210206_100011713676 [1,0,0,0,0,0|3,0,0]=4 241 B14R1.687 CC(C)SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000210206 [1,0,0,0,0,0|3,0,0]=4 242 B14R1.687 CC(C)SCCc1ccc(c(c1)Cl)F 62a_100000210206_100012361305 [1,0,0,0,0,0|3,0,0]=4 243 B14R1.687 CC(C)SCCc1ccc(c(c1)Cl)F 62a_100012361305_100000210206 [1,0,0,0,0,0|3,0,0]=4 244 B14R1.687 CC(C)SCCc1ccc(c(c1)F)F 62a_100000210206_100000690553 [1,0,0,0,0,0|3,0,0]=4 245 B14R1.687 CC(C)SCCc1ccc(c(c1)F)F 62a_100000690553_100000210206 [1,0,0,0,0,0|3,0,0]=4 246 B14R1.687 CC(C)SCCc1ccc(c(c1)O)O 62a_100000210206_200010393615 [1,0,0,0,0,0|1,0,0]=2 247 B14R1.687 CC(O)CCNc1ccc(c(c1)O)O 34a_100102946323_100012276601 [1,0,0,0,0,0|3,0,0]=4 248 B14R1.687 CC(O)CCSc1ccc(c(c1)O)O 62a_100012276601_100009813601 [1,0,0,0,0,0|3,0,0]=4 249 B14R1.687 CC(O)CNCc1ccc(c(c1)O)O 34a_100000010075_100011218427 [1,0,0,0,0,0|3,0,0]=4 250 B14R1.687 C[C@@H](O)CNCc1ccc(c(c1)O)O 34a_100000010075_100009817552 [1,0,0,0,0,0|3,0,0]=4 251 B14R1.687 Cc1cc(ccc1O)C=NNC(C)C 4a_100000741168_100011215669 [1,0,0,0,0,0|2,0,1]=4 252 B14R1.687 Cc1cc(ccc1O)NCCC(C)C 34a_100011218179_100000210312 [1,0,0,0,0,0|3,0,0]=4 253 B14R1.687 Cc1cc(ccc1O)NCCC(C)C 7a_100011218179_100000210626 [1,0,0,0,0,0|3,0,0]=4 254 B14R1.687 Cc1cc(ccc1O)NCOC(C)C 34a_100011218179_100000709892 [1,0,0,0,0,0|3,0,0]=4 255 B14R1.687 Cc1cc(ccc1O)SCCC(C)C 62a_100000210312_100000186361 [1,0,0,0,0,0|3,0,0]=4 256 B14R1.687 Cc1cc(ccc1O)SCOC(C)C 62a_100000709892_100000186361 [1,0,0,0,0,0|3,0,0]=4 257 B14R1.687 Cc1ccc(cc1C)CCNC(C)C 2230a_100020591374_100000210206 [1,0,0,0,0,0|2,0,0]=3 258 B14R1.687 Cc1ccc(cc1C)CCNC(C)C 34a_100020591374_100000210206 [1,0,0,0,0,0|2,0,0]=3 259 B14R1.687 Cc1ccc(cc1O)C=NNC(C)C 4a_100000741168_100011361566 [1,0,0,0,0,0|2,0,1]=4 260 B14R1.687 Cc1ccc(cc1O)NCCC(C)C 34a_100000759471_100000210312 [1,0,0,0,0,0|3,0,0]=4 261 B14R1.687 Cc1ccc(cc1O)NCCC(C)C 7a_100000759471_100000210626 [1,0,0,0,0,0|3,0,0]=4 262 B14R1.687 Cc1ccc(cc1O)NCOC(C)C 34a_100000759471_100000709892 [1,0,0,0,0,0|3,0,0]=4 263 B14R1.687 Cc1ccc(cc1O)SCCC(C)C 62a_100000210312_100000685420 [1,0,0,0,0,0|3,0,0]=4 264 B14R1.687 Cc1ccc(cc1O)SCCC(C)C 62a_100000685420_100000210312 [1,0,0,0,0,0|3,0,0]=4 265 B14R1.687 Cc1ccc(cc1O)SCOC(C)C 62a_100000685420_100000709892 [1,0,0,0,0,0|3,0,0]=4 266 B14R1.687 Cc1ccc(cc1O)SCOC(C)C 62a_100000709892_100000685420 [1,0,0,0,0,0|3,0,0]=4 267 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210211 [1,0,0,0,0,0|1,0,2]=4 268 B14R1.941 CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210202 [1,0,0,0,0,0|0,0,0]=1 269 B14R1.941 CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100015525214_100000761251 [1,0,0,0,0,0|2,0,0]=3 270 B14R1.941 CCNN=C(C)c1ccc(c(c1)O)O 4a_100000756455_100000025746 [1,0,0,0,0,0|2,0,1]=4 271 B14R1.941 CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100121572206_100000761251 [1,0,0,0,0,0|3,0,0]=4 272 B14R1.941 CCSCC(=O)c1ccc(c(c1)O)O 62a_100000210202_100000183813 [1,0,0,0,0,0|1,0,2]=4 273 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210202_100000761251 [1,0,0,0,0,0|3,0,0]=4 274 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210202 [1,0,0,0,0,0|3,0,0]=4 275 B14R1.941 Oc1ccc(cc1O)C(O)CNCF 34a_100000106456_100015361967 [1,0,0,0,0,0|1,0,0]=2 276 B16R1.1063 CC(C)NCC(C)(C)c1ccc(c(c1)Cl)Cl 2230a_100000747966_100000210206 [0,1,0,0,0,0|3,0,0]=4 277 B16R1.1063 CC(C)NCC(C)(C)c1ccc(c(c1)Cl)Cl 34a_100000747966_100000210206 [0,1,0,0,0,0|3,0,0]=4 278 B16R1.1089 CC(C)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210624 [0,1,0,0,0,0|1,0,1]=3 279 B16R1.1089 CC(C)CC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000731052 [0,1,0,0,0,0|1,0,2]=4 280 B16R1.1089 CC(C)NC(=O)C(O)c1ccc(c(c1)F)F 240690a_100138425928_100011217530 [0,1,0,0,0,0|2,0,1]=4 281 B16R1.1089 CC(C)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100138425928_200000032065 [0,1,0,0,0,0|0,0,1]=2 282 B16R1.1089 CC(O)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100011218427 [0,1,0,0,0,0|2,0,1]=4 283 B16R1.1090 CC(C)C(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000210198_100000183813 [0,1,0,0,0,0|1,0,2]=4 284 B16R1.1090 CC(C)C(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000753385 [0,1,0,0,0,0|1,0,2]=4 285 B16R1.1090 CC(C)C(=O)C[C@@H](O)c1ccc(c(c1)F)F 1458a_100000210198_100000761251 [0,1,0,0,0,0|3,0,0]=4 286 B16R1.1090 CC(C)N(C)CC(=O)c1ccc(c(c1)Cl)O 269982a_200000211004_200010170092 [0,1,0,0,0,0|1,0,2]=4 287 B16R1.1090 CC(C)N(C)CC(=O)c1ccc(c(c1)O)O 269982a_200000211004_100000183813 [0,1,0,0,0,0|0,0,2]=3 288 B16R1.1090 CC(C)N(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_200000211004_100000761251 [0,1,0,0,0,0|2,0,0]=3 289 B16R1.4296 COc1ccc(cc1Br)C(=O)CNC(C)C 2230a_100138425928_100000185116 [0,1,0,0,0,0|1,0,2]=4 290 B16R1.4296 COc1ccc(cc1Br)C(=O)CNC(C)C 34a_100138425928_100011262385 [0,1,0,0,0,0|1,0,2]=4 291 B16R1.4296 COc1ccc(cc1Cl)C(=O)CNC(C)C 2230a_100138425928_100000198526 [0,1,0,0,0,0|1,0,2]=4 292 B16R1.4296 COc1ccc(cc1F)C(=O)CNC(C)C 2230a_100138425928_100000195436 [0,1,0,0,0,0|1,0,2]=4 293 B16R1.4296 COc1ccc(cc1F)C(=O)CNC(C)C 34a_100138425928_100000195436 [0,1,0,0,0,0|1,0,2]=4 294 B16R1.4296 COc1ccc(cc1O)C(=NNC(C)C)C 4a_100000741168_100000732934 [0,1,0,0,0,0|2,0,1]=4 295 B16R1.4296 COc1ccc(cc1O)C(=O)CCC(C)C 1458a_100000766810_100000210312 [0,1,0,0,0,0|1,0,2]=4 296 B16R1.4296 COc1ccc(cc1O)C(=O)NNC(C)C 22a_100000741168_100000766810 [0,1,0,0,0,0|1,0,2]=4 297 B16R1.4296 COc1ccc(cc1O)C(C)NCC(C)C 269862a_100000210953_100000732934 [0,1,0,0,0,0|3,0,0]=4 298 B16R1.4709 CC(=NNC(C)C)c1ccc(c(c1)CO)O 4a_100000741168_100000025453 [0,1,0,0,0,0|2,0,1]=4 299 B16R1.4709 CC(C)NCC(=O)c1ccc(c(c1)CO)O 34a_100138425928_100010262812 [0,1,0,0,0,0|0,0,2]=3 300 B16R1.4709 CC(C)OCC(=O)c1ccc(c(c1)CO)O 34a_100000212225_100010262812 [0,1,0,0,0,0|1,0,2]=4 301 B16R1.4709 CC(C)SCC(=O)c1ccc(c(c1)CO)O 62a_100000210206_100010262812 [0,1,0,0,0,0|1,0,2]=4 302 B16R1.4709 CC(C)SCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_100000210206 [0,1,0,0,0,0|1,0,2]=4 303 B16R1.4709 COc1cc(ccc1Br)C(=O)CNC(C)C 2230a_100138425928_200010710740 [0,1,0,0,0,0|1,0,2]=4 304 B16R1.4709 COc1cc(ccc1Br)C(=O)CNC(C)C 34a_100138425928_200010710740 [0,1,0,0,0,0|1,0,2]=4 305 B16R1.4709 COc1cc(ccc1F)C(=O)CNC(C)C 2230a_100138425928_200012348595 [0,1,0,0,0,0|1,0,2]=4 306 B16R1.4709 COc1cc(ccc1F)C(=O)CNC(C)C 34a_100138425928_200012348595 [0,1,0,0,0,0|1,0,2]=4 307 B16R1.4709 COc1cc(ccc1F)[C@H](N)COC(C)C 34a_100138412295_100000210206 [0,1,0,0,0,0|3,0,0]=4 308 B16R1.4709 COc1cc(ccc1O)C(=NNC(C)C)C 4a_100000741168_100000186468 [0,1,0,0,0,0|2,0,1]=4 309 B16R1.4709 COc1cc(ccc1O)C(=O)CCC(C)C 1458a_100000687070_100000210312 [0,1,0,0,0,0|1,0,2]=4 310 B16R1.4709 COc1cc(ccc1O)C(=O)CSC(C)C 62a_100010206313_100000210206 [0,1,0,0,0,0|1,0,2]=4 311 B16R1.4709 COc1cc(ccc1O)C(=O)NNC(C)C 22a_100000741168_100000687070 [0,1,0,0,0,0|1,0,2]=4 312 B16R1.7454 C#CC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000035995 [0,1,0,0,0,0|0,0,1]=2 313 B16R1.7454 C#CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000707721_100000761251 [0,1,0,0,0,0|2,0,1]=4 314 B16R1.7454 C#CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100000707721_100000761251 [0,1,0,0,0,0|2,0,1]=4 315 B16R1.7454 CC(C#N)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000737613_100000761251 [0,1,0,0,0,0|2,0,1]=4 316 B16R1.7454 CC(CF)OCC(=O)c1ccc(c(c1)O)O 7a_100016041109_100000183813 [0,1,0,0,0,0|1,0,2]=4 317 B16R1.7454 CC(CF)OC[C@@H](O)c1ccc(c(c1)F)F 34a_100016041109_100000761251 [0,1,0,0,0,0|3,0,0]=4 318 B16R1.7454 CC(CF)OC[C@@H](O)c1ccc(c(c1)F)F 7a_100016041109_100000761251 [0,1,0,0,0,0|3,0,0]=4 319 B16R1.7454 CC(CN)OC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210904_100000761251 [0,1,0,0,0,0|3,0,0]=4 320 B16R1.7454 CC(CO)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100012180447 [0,1,0,0,0,0|0,0,0]=1 321 B16R1.7454 CC(CO)SCC(=O)c1ccc(c(c1)O)O 62a_100012180447_100000183813 [0,1,0,0,0,0|1,0,2]=4 322 B16R1.7454 CC(CO)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100012180447_100000761251 [0,1,0,0,0,0|3,0,0]=4 323 B16R1.7454 CCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210414 [0,1,0,0,0,0|1,0,1]=3 324 B16R1.7454 CCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011215416 [0,1,0,0,0,0|0,0,0]=1 325 B16R1.7454 CCC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000209981_100000761251 [0,1,0,0,0,0|2,0,0]=3 326 B16R1.7454 CCC(C)NN=C(C)c1ccc(c(c1)O)O 4a_100000718999_100000025746 [0,1,0,0,0,0|2,0,1]=4 327 B16R1.7454 CCC(C)OCC(=O)c1ccc(c(c1)O)O 7a_100000210228_100000183813 [0,1,0,0,0,0|1,0,2]=4 328 B16R1.7454 CCC(C)OC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210228_100000761251 [0,1,0,0,0,0|3,0,0]=4 329 B16R1.7454 CCC(C)SCC(=O)c1ccc(c(c1)O)O 62a_100000758301_100000183813 [0,1,0,0,0,0|1,0,2]=4 330 B16R1.7454 CCC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000758301_100000761251 [0,1,0,0,0,0|3,0,0]=4 331 B16R1.7454 CCC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000758301 [0,1,0,0,0,0|3,0,0]=4 332 B16R1.7454 CNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100000106456_100102657272 [0,1,0,0,0,0|1,0,1]=3 333 B16R1.7454 CNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100102657272_100000106456 [0,1,0,0,0,0|1,0,1]=3 334 B16R1.7454 CNC(=O)NCC(O)c1ccc(c(c1)O)O 512a_106832991638_100000106456 [0,1,0,0,0,0|1,0,1]=3 335 B16R1.7454 COC(C)SCC(=O)c1ccc(c(c1)O)O 62a_100009879195_100000183813 [0,1,0,0,0,0|1,0,2]=4 336 B16R1.7454 COC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100009879195 [0,1,0,0,0,0|3,0,0]=4 337 B16R1.7454 COC(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100009879195_100000761251 [0,1,0,0,0,0|3,0,0]=4 338 B16R1.7454 C[C@H](CO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000737577_100000761251 [0,1,0,0,0,0|2,0,0]=3 339 B16R1.7454 C[C@H](CO)SCC(=O)c1ccc(c(c1)O)O 62a_100016084084_100000183813 [0,1,0,0,0,0|1,0,2]=4 340 B16R1.7454 C[C@H](CO)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100016084084 [0,1,0,0,0,0|3,0,0]=4 341 B16R1.7454 C[C@H](CO)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100016084084_100000761251 [0,1,0,0,0,0|3,0,0]=4 342 B16R1.7454 O=C(CO)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210174 [0,1,0,0,0,0|1,0,1]=3 343 B16R1.11387 CC(=NNC(C)C)c1ccc(c(c1O)O)O 4a_100000741168_100000011674 [0,1,0,0,0,0|2,0,1]=4 344 B16R1.11387 CC(C)CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210312 [0,1,0,0,0,0|1,0,2]=4 345 B16R1.11387 CC(C)CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210312 [0,1,0,0,0,0|1,0,2]=4 346 B16R1.11387 CC(C)NNC(=O)c1ccc(c(c1Cl)O)O 22a_100000741168_100009910189 [0,1,0,0,0,0|1,0,2]=4 347 B16R1.14252 CCC(=NNC(C)C)c1ccc(c(c1)O)O 4a_100000741168_200000015986 [0,1,0,0,0,0|2,0,1]=4 348 B16R1.16536 CC(=NNC(C)(C)C)c1ccc(c(c1)O)O 4a_100000725372_100000025746 [0,1,0,0,0,0|2,0,1]=4 349 B16R1.16536 CC(C)(C)CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000755188 [0,1,0,0,0,0|1,0,2]=4 350 B16R1.16536 CC(C)(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210625 [0,1,0,0,0,0|0,0,0]=1 351 B16R1.16536 CC(C)(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000715429_100000761251 [0,1,0,0,0,0|2,0,0]=3 352 B16R1.16536 CC(C)(C)OCC(=O)c1ccc(c(c1)O)O 7a_100015890283_100000183813 [0,1,0,0,0,0|1,0,2]=4 353 B16R1.16536 CC(C)(C)OC[C@@H](O)c1ccc(c(c1)F)F 34a_100015890283_100000761251 [0,1,0,0,0,0|3,0,0]=4 354 B16R1.16536 CC(C)(C)OC[C@@H](O)c1ccc(c(c1)F)F 7a_100015890283_100000761251 [0,1,0,0,0,0|3,0,0]=4 355 B16R1.16536 CC(C)(C)SCC(=O)c1ccc(c(c1)O)O 62a_100000211941_100000183813 [0,1,0,0,0,0|1,0,2]=4 356 B16R1.16536 CC(C)(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000211941_100000761251 [0,1,0,0,0,0|3,0,0]=4 357 B16R1.16536 CC(C)(C)SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000211941 [0,1,0,0,0,0|3,0,0]=4 358 B16R1.16536 Oc1ccc(cc1O)C(O)CNC(F)(F)F 34a_100000106456_200103152311 [0,1,0,0,0,0|2,0,0]=3 359 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210312 [0,1,0,0,0,0|1,0,2]=4 360 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210312 [0,1,0,0,0,0|1,0,2]=4 361 B16R1.52957 CC(C)CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210312 [0,1,0,0,0,0|1,0,2]=4 362 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)Br)O)O 22a_100000741168_200009992764 [0,1,0,0,0,0|1,0,2]=4 363 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)Cl)O)O 22a_100000741168_200000078382 [0,1,0,0,0,0|1,0,2]=4 364 B16R1.52957 CC(C)NNC(=O)c1cc(c(c(c1)O)O)O 22a_100000741168_100000212154 [0,1,0,0,0,0|1,0,2]=4 365 B16R2.2864 CC1CC=C(CC1)c2ccc(c(c2)O)O 271570a_100010240233_100009813601 [0,0,0,1,0,0|2,0,1]=4 366 B16R2.33221 CC(C)N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_100000210206 [0,0,0,1,0,0|3,0,0]=4 367 B16R2.33221 CC(C)N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_100000210206 [0,0,0,1,0,0|3,0,0]=4 368 B16R2.33234 CC(=NNC1CC1)c2ccc(c(c2)O)O 4a_100000701032_100000025746 [0,0,0,1,0,0|2,0,1]=4 369 B16R2.33234 O=C(CCC1CC1)c2ccc(c(c2)O)O 1458a_100000212155_100000694398 [0,0,0,1,0,0|1,0,2]=4 370 B16R2.33234 O[C@H](CNC1CC1)c2ccc(c(c2)F)F 34a_100000212008_100000761251 [0,0,0,1,0,0|2,0,0]=3 371 B16R2.33234 O[C@H](CSC1CC1)c2ccc(c(c2)F)F 62a_100000761251_100000211595 [0,0,0,1,0,0|3,0,0]=4 372 B16R2.33234 Oc1ccc(cc1O)C(O)CNC2CC2 34a_100000106456_100000211595 [0,0,0,1,0,0|0,0,0]=1 373 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210624 [0,0,0,0,1,0|1,0,2]=4 374 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210624 [0,0,0,0,1,0|1,0,2]=4 375 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210624 [0,0,0,0,1,0|1,0,2]=4 376 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210624 [0,0,0,0,1,0|1,0,2]=4 377 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210624 [0,0,0,0,1,0|1,0,2]=4 378 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210624 [0,0,0,0,1,0|1,0,2]=4 379 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210624 [0,0,0,0,1,0|1,0,2]=4 380 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210624 [0,0,0,0,1,0|1,0,2]=4 381 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210624 [0,0,0,0,1,0|0,0,2]=3 382 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)O 271570a_100015190218_100009814561 [0,0,0,0,1,0|2,0,1]=4 383 B14R1.685 CC(C)C[C@H](N)c1cc(c(cn1)F)O 271570a_100015190218_100009854642 [0,0,0,0,1,0|3,0,0]=4 384 B14R1.685 CC(C)C[C@H](N)c1cc(c(cn1)O)N 271570a_100015190218_100009819941 [0,0,0,0,1,0|3,0,0]=4 385 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)Br 271570a_100015190218_100012356285 [0,0,0,0,1,0|3,0,0]=4 386 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)Cl 271570a_100015190218_100012353702 [0,0,0,0,1,0|3,0,0]=4 387 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)F 271570a_100015190218_100012047266 [0,0,0,0,1,0|3,0,0]=4 388 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)N 271570a_100015190218_100000750455 [0,0,0,0,1,0|3,0,0]=4 389 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)O 271570a_100015190218_100012361655 [0,0,0,0,1,0|2,0,0]=3 390 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)Br 271570a_100015190218_100012047281 [0,0,0,0,1,0|3,0,0]=4 391 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)Cl 271570a_100015190218_100011214914 [0,0,0,0,1,0|3,0,0]=4 392 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)F 271570a_100015190218_100011215976 [0,0,0,0,1,0|3,0,0]=4 393 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)N 271570a_100015190218_100011218065 [0,0,0,0,1,0|3,0,0]=4 394 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)O 271570a_100015190218_100012360047 [0,0,0,0,1,0|2,0,0]=3 395 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)Br 271570a_100015190218_100000685389 [0,0,0,0,1,0|3,0,0]=4 396 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)Cl 271570a_100015190218_100011216805 [0,0,0,0,1,0|3,0,0]=4 397 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)F 271570a_100015190218_100000750028 [0,0,0,0,1,0|3,0,0]=4 398 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)N 271570a_100015190218_100011215594 [0,0,0,0,1,0|3,0,0]=4 399 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)O 271570a_100015190218_100000185481 [0,0,0,0,1,0|2,0,0]=3 400 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)Br 271570a_100015190218_100000750456 [0,0,0,0,1,0|3,0,0]=4 401 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)Cl 271570a_100015190218_200000761891 [0,0,0,0,1,0|3,0,0]=4 402 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)F 271570a_100015190218_100000740924 [0,0,0,0,1,0|3,0,0]=4 403 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)N 271570a_100015190218_100000741789 [0,0,0,0,1,0|3,0,0]=4 404 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)O 271570a_100015190218_100000752626 [0,0,0,0,1,0|2,0,0]=3 405 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)Br 271570a_100015190218_100012356990 [0,0,0,0,1,0|2,0,0]=3 406 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)Cl 271570a_100015190218_100011356854 [0,0,0,0,1,0|2,0,0]=3 407 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)F 271570a_100015190218_100000686035 [0,0,0,0,1,0|2,0,0]=3 408 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)N 271570a_100015190218_100000739049 [0,0,0,0,1,0|2,0,0]=3 409 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)O 271570a_100015190218_100009813601 [0,0,0,0,1,0|1,0,0]=2 410 B14R1.685 CC(C)C[C@H](N)c1ccc(c(n1)Br)O 271570a_100015190218_100000725334 [0,0,0,0,1,0|3,0,0]=4 411 B14R1.685 CC(C)C[C@H](N)c1ccc(c(n1)Cl)O 271570a_100015190218_100000721234 [0,0,0,0,1,0|3,0,0]=4 412 B14R1.685 CC(C)C[C@H](N)c1ccc(c(n1)F)O 271570a_100015190218_100009819667 [0,0,0,0,1,0|3,0,0]=4 413 B14R1.685 CC(C)C[C@H](N)c1ccc(c(n1)N)O 271570a_100015190218_100000685527 [0,0,0,0,1,0|3,0,0]=4 414 B14R1.685 CC(C)C[C@H](N)c1ccc(c(n1)O)F 271570a_100015190218_100010729010 [0,0,0,0,1,0|3,0,0]=4 415 B14R1.685 CC(C)C[C@H](N)c1ccc(c(n1)O)N 271570a_100015190218_100000718904 [0,0,0,0,1,0|3,0,0]=4 416 B14R1.685 CC(C)C[C@H](N)c1cnc(c(c1)Cl)O 271570a_100015190218_100010238531 [0,0,0,0,1,0|3,0,0]=4 417 B14R1.685 CC(C)C[C@H](N)c1cnc(c(c1)N)O 271570a_100015190218_100000743729 [0,0,0,0,1,0|3,0,0]=4 418 B14R1.685 CC(C)C[C@H](N)c1cnc(c(c1)O)F 271570a_100015190218_100009819871 [0,0,0,0,1,0|3,0,0]=4 419 B14R1.685 CC(C)C[C@H](N)c1cnc(c(c1)O)N 271570a_100015190218_100009819042 [0,0,0,0,1,0|3,0,0]=4 420 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Br)O 240690a_100138425928_100000189672 [0,0,0,0,1,0|1,0,2]=4 421 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Cl)O 240690a_100138425928_100000212196 [0,0,0,0,1,0|1,0,2]=4 422 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Cl)O 527a_100138425928_100000212196 [0,0,0,0,1,0|1,0,2]=4 423 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)F)O 240690a_100138425928_100000185466 [0,0,0,0,1,0|1,0,2]=4 424 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)F)O 527a_100138425928_100000185466 [0,0,0,0,1,0|1,0,2]=4 425 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)I)O 1626a_100138425928_100000037485 [0,0,0,0,1,0|1,0,2]=4 426 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)I)O 240690a_100138425928_100000037485 [0,0,0,0,1,0|1,0,2]=4 427 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Br 240690a_100138425928_100000689001 [0,0,0,0,1,0|1,0,2]=4 428 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Br 527a_100138425928_100000689001 [0,0,0,0,1,0|1,0,2]=4 429 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Cl 240690a_100138425928_100011933997 [0,0,0,0,1,0|1,0,2]=4 430 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Cl 527a_100138425928_100011933997 [0,0,0,0,1,0|1,0,2]=4 431 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)F 240690a_100138425928_100000035894 [0,0,0,0,1,0|1,0,2]=4 432 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359899 [0,0,0,0,1,0|1,0,2]=4 433 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)F 527a_100138425928_100000035894 [0,0,0,0,1,0|1,0,2]=4 434 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)I 1626a_100138425928_100000239334 [0,0,0,0,1,0|1,0,2]=4 435 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)I 240690a_100138425928_100000239334 [0,0,0,0,1,0|1,0,2]=4 436 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)I 527a_100138425928_100000239334 [0,0,0,0,1,0|1,0,2]=4 437 B14R1.685 CC(C)NC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_100000210206 [0,0,0,0,1,0|3,0,0]=4 438 B14R1.685 CC(C)NC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_100000210206 [0,0,0,0,1,0|3,0,0]=4 439 B14R1.685 CC(C)NC(C)c1ccc(c(c1)F)F 2230a_100000756309_100000210206 [0,0,0,0,1,0|3,0,0]=4 440 B14R1.685 CC(C)NC(C)c1ccc(c(c1)F)F 34a_100000756309_100000210206 [0,0,0,0,1,0|3,0,0]=4 441 B14R1.685 CC(C)N[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_100000210206 [0,0,0,0,1,0|3,0,0]=4 442 B14R1.685 CC(C)N[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_100000210206 [0,0,0,0,1,0|3,0,0]=4 443 B14R1.685 CC(C)N[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_100000210206 [0,0,0,0,1,0|3,0,0]=4 444 B14R1.685 CC(C)N[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_100000210206 [0,0,0,0,1,0|3,0,0]=4 445 B14R1.685 CC(C)N[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_100000210206 [0,0,0,0,1,0|3,0,0]=4 446 B14R1.685 CC(C)N[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_100000210206 [0,0,0,0,1,0|3,0,0]=4 447 B14R1.685 CC(C)N[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_100000210206 [0,0,0,0,1,0|3,0,0]=4 448 B14R1.685 CC(C)N[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_100000210206 [0,0,0,0,1,0|3,0,0]=4 449 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218427 [0,0,0,0,1,0|1,0,2]=4 450 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100102631434_100000183813 [0,0,0,0,1,0|1,0,2]=4 451 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100102631434_100000761251 [0,0,0,0,1,0|3,0,0]=4 452 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100102631434_100000761251 [0,0,0,0,1,0|3,0,0]=4 453 B14R1.685 Cc1cc(ccc1Br)[C@@H](N)CC(C)C 271570a_100015190218_100009813585 [0,0,0,0,1,0|3,0,0]=4 454 B14R1.685 Cc1cc(ccc1Cl)[C@@H](N)CC(C)C 271570a_100015190218_100000049509 [0,0,0,0,1,0|3,0,0]=4 455 B14R1.685 Cc1cc(ccc1F)C(C)NC(C)C 2230a_100000705826_100000210206 [0,0,0,0,1,0|3,0,0]=4 456 B14R1.685 Cc1cc(ccc1F)C(C)NC(C)C 34a_100000705826_100000210206 [0,0,0,0,1,0|3,0,0]=4 457 B14R1.685 Cc1cc(ccc1F)[C@@H](N)CC(C)C 271570a_100015190218_100011218330 [0,0,0,0,1,0|3,0,0]=4 458 B14R1.685 Cc1cc(ccc1N)[C@@H](N)CC(C)C 271570a_100015190218_100000211769 [0,0,0,0,1,0|3,0,0]=4 459 B14R1.685 Cc1cc(ccc1O)C(=O)CC(C)C 1458a_100000685612_100000210624 [0,0,0,0,1,0|1,0,2]=4 460 B14R1.685 Cc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100000685612 [0,0,0,0,1,0|1,0,2]=4 461 B14R1.685 Cc1cc(ccc1O)C(=O)NC(C)C 271570a_203496583355_200012357427 [0,0,0,0,1,0|1,0,2]=4 462 B14R1.685 Cc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000186361 [0,0,0,0,1,0|2,0,0]=3 463 B14R1.685 Cc1cc(cnc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000685391 [0,0,0,0,1,0|3,0,0]=4 464 B14R1.685 Cc1cc(ncc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000692680 [0,0,0,0,1,0|3,0,0]=4 465 B14R1.685 Cc1ccc(cc1Br)[C@@H](N)CC(C)C 271570a_100015190218_100011847877 [0,0,0,0,1,0|3,0,0]=4 466 B14R1.685 Cc1ccc(cc1C)[C@@H](C)NC(C)C 2230a_100015184928_100000210206 [0,0,0,0,1,0|3,0,0]=4 467 B14R1.685 Cc1ccc(cc1C)[C@@H](C)NC(C)C 34a_100015184928_100000210206 [0,0,0,0,1,0|3,0,0]=4 468 B14R1.685 Cc1ccc(cc1C)[C@@H](N)CC(C)C 271570a_100015190218_100011215607 [0,0,0,0,1,0|3,0,0]=4 469 B14R1.685 Cc1ccc(cc1Cl)C(C)NC(C)C 2230a_100012005020_100000210206 [0,0,0,0,1,0|3,0,0]=4 470 B14R1.685 Cc1ccc(cc1Cl)C(C)NC(C)C 34a_100012005020_100000210206 [0,0,0,0,1,0|3,0,0]=4 471 B14R1.685 Cc1ccc(cc1Cl)[C@@H](N)CC(C)C 271570a_100015190218_100011216363 [0,0,0,0,1,0|3,0,0]=4 472 B14R1.685 Cc1ccc(cc1F)[C@@H](N)CC(C)C 271570a_100015190218_100000720648 [0,0,0,0,1,0|3,0,0]=4 473 B14R1.685 Cc1ccc(cc1F)[C@H](C)NC(C)C 2230a_100011997884_100000210206 [0,0,0,0,1,0|3,0,0]=4 474 B14R1.685 Cc1ccc(cc1F)[C@H](C)NC(C)C 34a_100011997884_100000210206 [0,0,0,0,1,0|3,0,0]=4 475 B14R1.685 Cc1ccc(cc1N)[C@@H](N)CC(C)C 271570a_100015190218_100000761890 [0,0,0,0,1,0|3,0,0]=4 476 B14R1.685 Cc1ccc(cc1O)C(=O)CC(C)C 1458a_100000233767_100000210624 [0,0,0,0,1,0|1,0,2]=4 477 B14R1.685 Cc1ccc(cc1O)C(=O)NC(C)C 240690a_100138425928_100000233767 [0,0,0,0,1,0|1,0,2]=4 478 B14R1.685 Cc1ccc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000766334 [0,0,0,0,1,0|2,0,0]=3 479 B14R1.685 Cc1cnc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000704368 [0,0,0,0,1,0|3,0,0]=4 480 B14R1.685 Cc1nc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100010233687 [0,0,0,0,1,0|3,0,0]=4 481 B14R1.685 Cc1ncc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100009864810 [0,0,0,0,1,0|3,0,0]=4 482 B16R1.1036 CC(C)CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210312 [0,0,0,0,0,1|1,0,2]=4 483 B16R1.1036 CC(C)CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000181311 [0,0,0,0,0,1|1,0,2]=4 484 B16R1.1036 CC(C)CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000181311 [0,0,0,0,0,1|1,0,2]=4 485 B16R1.1036 CC(C)CCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100011261404 [0,0,0,0,0,1|3,0,0]=4 486 B16R1.1036 CC(C)CCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100011261404 [0,0,0,0,0,1|3,0,0]=4 487 B16R1.1036 CC(C)CCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100011261404 [0,0,0,0,0,1|3,0,0]=4 488 B16R1.1036 CC(C)CCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100011261404 [0,0,0,0,0,1|3,0,0]=4 489 B16R1.1036 CC(C)CCC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100011261404 [0,0,0,0,0,1|3,0,0]=4 490 B16R1.1036 CC(C)CCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100011261404 [0,0,0,0,0,1|2,0,0]=3 491 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)Br)O 62a_100011261404_100012361655 [0,0,0,0,0,1|3,0,0]=4 492 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100011261404 [0,0,0,0,0,1|3,0,0]=4 493 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)Cl)O 62a_100011261404_100012360047 [0,0,0,0,0,1|3,0,0]=4 494 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100011261404 [0,0,0,0,0,1|3,0,0]=4 495 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100011261404 [0,0,0,0,0,1|3,0,0]=4 496 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)F)O 62a_100011261404_100000185481 [0,0,0,0,0,1|3,0,0]=4 497 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100011261404 [0,0,0,0,0,1|3,0,0]=4 498 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)N)O 62a_100011261404_100000752626 [0,0,0,0,0,1|3,0,0]=4 499 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)Br 62a_100011261404_100012356990 [0,0,0,0,0,1|3,0,0]=4 500 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100011261404 [0,0,0,0,0,1|3,0,0]=4 501 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)Cl 62a_100011261404_100011356854 [0,0,0,0,0,1|3,0,0]=4 502 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100011261404 [0,0,0,0,0,1|3,0,0]=4 503 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100011261404 [0,0,0,0,0,1|3,0,0]=4 504 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)F 62a_100011261404_100000686035 [0,0,0,0,0,1|3,0,0]=4 505 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100011261404 [0,0,0,0,0,1|3,0,0]=4 506 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)N 62a_100011261404_100000739049 [0,0,0,0,0,1|3,0,0]=4 507 B16R1.1036 CC(C)CCC(C)Sc1ccc(c(c1)O)O 62a_100011261404_100009813601 [0,0,0,0,0,1|2,0,0]=3 508 B16R1.1036 CC(C)NNC(=O)Cc1ccc(c(c1)O)O 22a_100000741168_100000031429 [0,0,0,0,0,1|1,0,2]=4 509 B16R1.1036 CC(C)OCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000745533 [0,0,0,0,0,1|1,0,2]=4 510 B16R1.1036 CC(C)OCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000745533 [0,0,0,0,0,1|1,0,2]=4 511 B16R1.1036 CC(C)SCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000241585 [0,0,0,0,0,1|1,0,2]=4 512 B16R1.1036 CC(C)SCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000241585 [0,0,0,0,0,1|1,0,2]=4 513 B16R1.1036 Cc1cc(ccc1O)NC(C)CCC(C)C 34a_100011218179_100011261404 [0,0,0,0,0,1|3,0,0]=4 514 B16R1.1036 Cc1cc(ccc1O)SC(C)CCC(C)C 62a_100011261404_100000186361 [0,0,0,0,0,1|3,0,0]=4 515 B16R1.1036 Cc1ccc(cc1O)NC(C)CCC(C)C 34a_100000759471_100011261404 [0,0,0,0,0,1|3,0,0]=4 516 B16R1.1036 Cc1ccc(cc1O)SC(C)CCC(C)C 62a_100000685420_100011261404 [0,0,0,0,0,1|3,0,0]=4 517 B16R1.1036 Cc1ccc(cc1O)SC(C)CCC(C)C 62a_100011261404_100000685420 [0,0,0,0,0,1|3,0,0]=4 518 B16R1.1091 C=C(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000748629 [0,0,0,0,0,1|0,0,2]=3 519 B16R1.1091 C=C(F)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009893438 [0,0,0,0,0,1|1,0,2]=4 520 B16R1.1091 CC(C)CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214892 [0,0,0,0,0,1|1,0,2]=4 521 B16R1.1091 CC(C)CCNC(C)c1ccc(c(c1)Br)O 269862a_100000210545_100011772453 [0,0,0,0,0,1|3,0,0]=4 522 B16R1.1091 CC(C)CCNC(C)c1ccc(c(c1)Cl)O 269862a_100000210545_100000188625 [0,0,0,0,0,1|3,0,0]=4 523 B16R1.1091 CC(C)CCNC(C)c1ccc(c(c1)F)O 269862a_100000210545_100000751691 [0,0,0,0,0,1|3,0,0]=4 524 B16R1.1091 CC(C)CCNC(C)c1ccc(c(c1)O)F 269862a_100000210545_100000117923 [0,0,0,0,0,1|3,0,0]=4 525 B16R1.1091 CC(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210624 [0,0,0,0,0,1|0,0,0]=1 526 B16R1.1091 CC(C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000210953_100000761251 [0,0,0,0,0,1|2,0,0]=3 527 B16R1.1091 CC(C)CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210953_100000761251 [0,0,0,0,0,1|2,0,0]=3 528 B16R1.1091 CC(C)COC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210257_100000761251 [0,0,0,0,0,1|3,0,0]=4 529 B16R1.1091 CC(C)CSCC(=O)c1ccc(c(c1)O)O 62a_100000210624_100000183813 [0,0,0,0,0,1|1,0,2]=4 530 B16R1.1091 CC(C)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210624_100000761251 [0,0,0,0,0,1|3,0,0]=4 531 B16R1.1091 CC(C)CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210760 [0,0,0,0,0,1|3,0,0]=4 532 B16R1.1091 CC(C)OCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000211751 [0,0,0,0,0,1|1,0,2]=4 533 B16R1.1091 CC(C)SCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000730970 [0,0,0,0,0,1|1,0,2]=4 534 B16R1.1091 CC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218427 [0,0,0,0,0,1|1,0,0]=2 535 B16R1.1091 CC(O)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000210904_100000761251 [0,0,0,0,0,1|3,0,0]=4 536 B16R1.1091 CC(O)CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210904_100000761251 [0,0,0,0,0,1|3,0,0]=4 537 B16R1.1091 C[C@@H](O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009817552 [0,0,0,0,0,1|1,0,0]=2 538 B16R1.1091 Cc1cc(ccc1O)C(C)NCCC(C)C 269862a_100000210545_100000188726 [0,0,0,0,0,1|3,0,0]=4 539 B16R1.1091 Cc1ccc(cc1O)C(C)NCCC(C)C 269862a_100000210545_100000084092 [0,0,0,0,0,1|3,0,0]=4 540 B16R1.1091 NC(=O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000187820 [0,0,0,0,0,1|2,0,1]=4 541 B16R1.1091 O=C([O-])CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100020667443 [0,0,0,0,0,1|2,0,1]=4 542 B16R1.1091 O=[N+]([O-])CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000761209 [0,0,0,0,0,1|3,0,0]=4 543 B16R1.1091 Oc1ccc(cc1O)C(O)CNCC(F)F 34a_100000106456_100011934356 [0,0,0,0,0,1|2,0,0]=3 544 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [2,0,0,0,0,0|0,0,0]=2 545 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [2,0,0,0,0,0|0,0,0]=2 546 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [2,0,0,0,0,0|1,0,0]=3 547 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [2,0,0,0,0,0|1,0,1]=4 548 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [2,0,0,0,0,0|1,0,1]=4 549 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 550 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 551 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 552 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 553 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [2,0,0,0,0,0|0,0,0]=2 554 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 555 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 556 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [2,0,0,0,0,0|1,0,0]=3 557 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [2,0,0,0,0,0|1,0,0]=3 558 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 559 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 560 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [2,0,0,0,0,0|2,0,0]=4 561 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 562 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 563 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [2,0,0,0,0,0|1,0,0]=3 564 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [2,0,0,0,0,0|2,0,0]=4 565 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [2,0,0,0,0,0|1,0,0]=3 566 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [2,0,0,0,0,0|2,0,0]=4 567 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [2,0,0,0,0,0|2,0,0]=4 568 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [2,0,0,0,0,0|1,0,0]=3 569 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [2,0,0,0,0,0|1,0,0]=3 570 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [2,0,0,0,0,0|1,0,0]=3 571 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [2,0,0,0,0,0|1,0,0]=3 572 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 573 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 574 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 575 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 576 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 577 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 578 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [2,0,0,0,0,0|1,0,1]=4 579 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [2,0,0,0,0,0|1,0,1]=4 580 B13R1.149 CC(C)CCNc1cccc(c1)O 34a_100000210217_100000210312 [2,0,0,0,0,0|2,0,0]=4 581 B13R1.149 CC(C)CCSc1cccc(c1)O 62a_100000210312_100000211634 [2,0,0,0,0,0|2,0,0]=4 582 B13R1.149 CC(C)CNCc1cccc(c1)O 207a_100000210953_100000188321 [2,0,0,0,0,0|2,0,0]=4 583 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000210953_100011660834 [2,0,0,0,0,0|2,0,0]=4 584 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000743036_100000210760 [2,0,0,0,0,0|2,0,0]=4 585 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000210953_100000188321 [2,0,0,0,0,0|2,0,0]=4 586 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000743036_100000210432 [2,0,0,0,0,0|2,0,0]=4 587 B13R1.149 CC(C)CNCc1cccc(c1)O 271570a_203496583355_100015187148 [2,0,0,0,0,0|2,0,0]=4 588 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000210953_100011660834 [2,0,0,0,0,0|2,0,0]=4 589 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000743036_100000210624 [2,0,0,0,0,0|2,0,0]=4 590 B13R1.149 CC(C)COCc1cccc(c1)O 34a_100000210257_100011660834 [2,0,0,0,0,0|2,0,0]=4 591 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100000210624_100011660834 [2,0,0,0,0,0|2,0,0]=4 592 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100011660834_100000210760 [2,0,0,0,0,0|2,0,0]=4 593 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000210206 [2,0,0,0,0,0|1,0,0]=3 594 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100138425928_100011740638 [2,0,0,0,0,0|1,0,0]=3 595 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100011207229_100000210206 [2,0,0,0,0,0|1,0,0]=3 596 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100138425928_100011740638 [2,0,0,0,0,0|1,0,0]=3 597 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000210206 [2,0,0,0,0,0|1,0,0]=3 598 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100138425928_100011713710 [2,0,0,0,0,0|1,0,0]=3 599 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000210206 [2,0,0,0,0,0|1,0,0]=3 600 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100138425928_100011713710 [2,0,0,0,0,0|1,0,0]=3 601 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100000205154_100000210206 [2,0,0,0,0,0|1,0,0]=3 602 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100138425928_100011217235 [2,0,0,0,0,0|1,0,0]=3 603 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100000205154_100000210206 [2,0,0,0,0,0|1,0,0]=3 604 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100138425928_100011217235 [2,0,0,0,0,0|1,0,0]=3 605 B13R1.149 CC(C)NCCc1cccc(c1)O 2230a_100000747277_100000210206 [2,0,0,0,0,0|0,0,0]=2 606 B13R1.149 CC(C)NCCc1cccc(c1)O 34a_100000747277_100000210206 [2,0,0,0,0,0|0,0,0]=2 607 B13R1.149 CC(C)NN=Cc1cccc(c1)O 4a_100000741168_100000188321 [2,0,0,0,0,0|1,0,1]=4 608 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100000212225_100011740638 [2,0,0,0,0,0|2,0,0]=4 609 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100011217444_100000210206 [2,0,0,0,0,0|2,0,0]=4 610 B13R1.149 CC(C)OCCc1cccc(c1)Br 7a_100011217444_100000210206 [2,0,0,0,0,0|2,0,0]=4 611 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000212225_100011713710 [2,0,0,0,0,0|2,0,0]=4 612 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000210206 [2,0,0,0,0,0|2,0,0]=4 613 B13R1.149 CC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000210206 [2,0,0,0,0,0|2,0,0]=4 614 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000212225_100011217235 [2,0,0,0,0,0|2,0,0]=4 615 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000763591_100000210206 [2,0,0,0,0,0|2,0,0]=4 616 B13R1.149 CC(C)OCCc1cccc(c1)F 7a_100000763591_100000210206 [2,0,0,0,0,0|2,0,0]=4 617 B13R1.149 CC(C)OCCc1cccc(c1)N 34a_100011996697_100000210206 [2,0,0,0,0,0|2,0,0]=4 618 B13R1.149 CC(C)OCNc1cccc(c1)O 34a_100000210217_100000709892 [2,0,0,0,0,0|2,0,0]=4 619 B13R1.149 CC(C)OCSc1cccc(c1)O 62a_100000709892_100000211634 [2,0,0,0,0,0|2,0,0]=4 620 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100000210206_100011740638 [2,0,0,0,0,0|2,0,0]=4 621 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100011740638_100000210206 [2,0,0,0,0,0|2,0,0]=4 622 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100000210206_100011713710 [2,0,0,0,0,0|2,0,0]=4 623 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000210206 [2,0,0,0,0,0|2,0,0]=4 624 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100000210206_100011217235 [2,0,0,0,0,0|2,0,0]=4 625 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100011217235_100000210206 [2,0,0,0,0,0|2,0,0]=4 626 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100000749837_100000210206 [2,0,0,0,0,0|1,0,0]=3 627 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100138425928_100011713685 [2,0,0,0,0,0|1,0,0]=3 628 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100000749837_100000210206 [2,0,0,0,0,0|1,0,0]=3 629 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100138425928_100011713685 [2,0,0,0,0,0|1,0,0]=3 630 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100000212225_100011713685 [2,0,0,0,0,0|2,0,0]=4 631 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100011217157_100000210206 [2,0,0,0,0,0|2,0,0]=4 632 B13R1.149 Cc1cccc(c1)CCOC(C)C 7a_100011217157_100000210206 [2,0,0,0,0,0|2,0,0]=4 633 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100000210206_100011713685 [2,0,0,0,0,0|2,0,0]=4 634 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100011713685_100000210206 [2,0,0,0,0,0|2,0,0]=4 635 B13R1.149 Cc1cccc(n1)CCNC(C)C 2230a_100011824523_100000210206 [2,0,0,0,0,0|2,0,0]=4 636 B13R1.149 Cc1cccc(n1)CCNC(C)C 34a_100011824523_100000210206 [2,0,0,0,0,0|2,0,0]=4 637 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [2,0,0,0,0,0|2,0,0]=4 638 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [2,0,0,0,0,0|1,0,0]=3 639 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [2,0,0,0,0,0|1,0,0]=3 640 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [2,0,0,0,0,0|1,0,0]=3 641 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [2,0,0,0,0,0|1,0,0]=3 642 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [2,0,0,0,0,0|1,0,0]=3 643 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [2,0,0,0,0,0|1,0,0]=3 644 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [2,0,0,0,0,0|1,0,0]=3 645 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [2,0,0,0,0,0|1,0,0]=3 646 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [2,0,0,0,0,0|0,0,0]=2 647 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [2,0,0,0,0,0|1,0,0]=3 648 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [2,0,0,0,0,0|2,0,0]=4 649 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [2,0,0,0,0,0|2,0,0]=4 650 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [2,0,0,0,0,0|2,0,0]=4 651 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [2,0,0,0,0,0|2,0,0]=4 652 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [2,0,0,0,0,0|2,0,0]=4 653 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [2,0,0,0,0,0|2,0,0]=4 654 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [2,0,0,0,0,0|2,0,0]=4 655 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [2,0,0,0,0,0|2,0,0]=4 656 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [2,0,0,0,0,0|2,0,0]=4 657 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [2,0,0,0,0,0|1,0,0]=3 658 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [2,0,0,0,0,0|1,0,1]=4 659 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [2,0,0,0,0,0|1,0,1]=4 660 B13R1.513 CC(C)CCNc1ccc(cc1)O 34a_100000185829_100000210312 [2,0,0,0,0,0|2,0,0]=4 661 B13R1.513 CC(C)CCSc1ccc(cc1)O 271570a_203496583355_200009813137 [2,0,0,0,0,0|2,0,0]=4 662 B13R1.513 CC(C)CCSc1ccc(cc1)O 62a_100000210312_100000185759 [2,0,0,0,0,0|2,0,0]=4 663 B13R1.513 CC(C)CNCc1ccc(cc1)O 271570a_203496583355_100015183326 [2,0,0,0,0,0|2,0,0]=4 664 B13R1.513 CC(C)CNCc1ccc(cc1)O 34a_100000185549_100000210624 [2,0,0,0,0,0|2,0,0]=4 665 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000210206 [2,0,0,0,0,0|1,0,0]=3 666 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100138425928_100011740612 [2,0,0,0,0,0|1,0,0]=3 667 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000210206 [2,0,0,0,0,0|1,0,0]=3 668 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100138425928_100011740612 [2,0,0,0,0,0|1,0,0]=3 669 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000210206 [2,0,0,0,0,0|1,0,0]=3 670 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100138425928_100011713675 [2,0,0,0,0,0|1,0,0]=3 671 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000210206 [2,0,0,0,0,0|1,0,0]=3 672 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100138425928_100011713675 [2,0,0,0,0,0|1,0,0]=3 673 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000210206 [2,0,0,0,0,0|1,0,0]=3 674 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100138425928_100011217392 [2,0,0,0,0,0|1,0,0]=3 675 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100000199005_100000210206 [2,0,0,0,0,0|1,0,0]=3 676 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100138425928_100011217392 [2,0,0,0,0,0|1,0,0]=3 677 B13R1.513 CC(C)NCCc1ccc(cc1)O 2230a_100138425928_100009816426 [2,0,0,0,0,0|0,0,0]=2 678 B13R1.513 CC(C)NCCc1ccc(cc1)O 34a_100000743037_100000210206 [2,0,0,0,0,0|0,0,0]=2 679 B13R1.513 CC(C)NN=Cc1ccc(cc1)O 4a_100000741168_100000185832 [2,0,0,0,0,0|1,0,1]=4 680 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000212225_100011740612 [2,0,0,0,0,0|2,0,0]=4 681 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000210206 [2,0,0,0,0,0|2,0,0]=4 682 B13R1.513 CC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000210206 [2,0,0,0,0,0|2,0,0]=4 683 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100000212225_100011713675 [2,0,0,0,0,0|2,0,0]=4 684 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000210206 [2,0,0,0,0,0|2,0,0]=4 685 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000210206 [2,0,0,0,0,0|2,0,0]=4 686 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000212225_100011217392 [2,0,0,0,0,0|2,0,0]=4 687 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000754732_100000210206 [2,0,0,0,0,0|2,0,0]=4 688 B13R1.513 CC(C)OCCc1ccc(cc1)F 7a_100000754732_100000210206 [2,0,0,0,0,0|2,0,0]=4 689 B13R1.513 CC(C)OCCc1ccc(cc1)I 34a_100012291149_100000210206 [2,0,0,0,0,0|2,0,0]=4 690 B13R1.513 CC(C)OCCc1ccc(cc1)I 7a_100012291149_100000210206 [2,0,0,0,0,0|2,0,0]=4 691 B13R1.513 CC(C)OCCc1ccc(cc1)N 34a_100011204434_100000210206 [2,0,0,0,0,0|2,0,0]=4 692 B13R1.513 CC(C)OCNc1ccc(cc1)O 34a_100000185829_100000709892 [2,0,0,0,0,0|2,0,0]=4 693 B13R1.513 CC(C)OCSc1ccc(cc1)O 62a_100000709892_100000185759 [2,0,0,0,0,0|2,0,0]=4 694 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100000210206_100011740612 [2,0,0,0,0,0|2,0,0]=4 695 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000210206 [2,0,0,0,0,0|2,0,0]=4 696 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100000210206_100011713675 [2,0,0,0,0,0|2,0,0]=4 697 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000210206 [2,0,0,0,0,0|2,0,0]=4 698 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100000210206_100011217392 [2,0,0,0,0,0|2,0,0]=4 699 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100011217392_100000210206 [2,0,0,0,0,0|2,0,0]=4 700 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100000210206_100009816426 [2,0,0,0,0,0|1,0,0]=3 701 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100009816426_100000210206 [2,0,0,0,0,0|1,0,0]=3 702 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100000705350_100000210206 [2,0,0,0,0,0|1,0,0]=3 703 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100138425928_100011713686 [2,0,0,0,0,0|1,0,0]=3 704 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100000705350_100000210206 [2,0,0,0,0,0|1,0,0]=3 705 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100138425928_100011713686 [2,0,0,0,0,0|1,0,0]=3 706 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000212225_100011713686 [2,0,0,0,0,0|2,0,0]=4 707 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000756670_100000210206 [2,0,0,0,0,0|2,0,0]=4 708 B13R1.513 Cc1ccc(cc1)CCOC(C)C 7a_100000756670_100000210206 [2,0,0,0,0,0|2,0,0]=4 709 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100000210206_100011713686 [2,0,0,0,0,0|2,0,0]=4 710 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100011713686_100000210206 [2,0,0,0,0,0|2,0,0]=4 711 B13R1.669 CCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210210 [2,0,0,0,0,0|2,0,0]=4 712 B13R1.669 CCCCSc1ccc(c(c1)O)O 62a_100000210211_100009813601 [2,0,0,0,0,0|2,0,0]=4 713 B13R1.669 CCCNCc1ccc(c(c1)O)O 34a_100000010075_100000210303 [2,0,0,0,0,0|2,0,0]=4 714 B13R1.669 CCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210202 [2,0,0,0,0,0|2,0,0]=4 715 B13R1.669 CCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210202 [2,0,0,0,0,0|2,0,0]=4 716 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210202 [2,0,0,0,0,0|2,0,0]=4 717 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100011713676 [2,0,0,0,0,0|2,0,0]=4 718 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210202 [2,0,0,0,0,0|2,0,0]=4 719 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_100015525214_100012361305 [2,0,0,0,0,0|2,0,0]=4 720 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210202 [2,0,0,0,0,0|2,0,0]=4 721 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210202 [2,0,0,0,0,0|2,0,0]=4 722 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_100015525214_100000690553 [2,0,0,0,0,0|2,0,0]=4 723 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210202 [2,0,0,0,0,0|2,0,0]=4 724 B13R1.669 CCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210202 [2,0,0,0,0,0|2,0,0]=4 725 B13R1.669 CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210202 [2,0,0,0,0,0|0,0,0]=2 726 B13R1.669 CCNN=Cc1ccc(c(c1)O)O 4a_100000756455_100000184535 [2,0,0,0,0,0|1,0,1]=4 727 B13R1.669 CCOCSc1ccc(c(c1)O)O 62a_100000739092_100009813601 [2,0,0,0,0,0|2,0,0]=4 728 B13R1.669 CCSCCc1ccc(c(c1)O)O 62a_100000210202_200010393615 [2,0,0,0,0,0|1,0,0]=3 729 B13R1.669 Oc1ccc(cc1O)CCNCF 34a_100000210387_100015361967 [2,0,0,0,0,0|1,0,0]=3 730 B13R1.669 Oc1ccc(cc1O)CCSCF 62a_100015361967_200010393615 [2,0,0,0,0,0|2,0,0]=4 731 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [2,0,0,0,0,0|0,0,2]=4 732 B13R1.466 CCNC(C)c1ccc(c(c1)Br)O 269862a_100015525214_100011772453 [2,0,0,0,0,0|2,0,0]=4 733 B13R1.466 CCNC(C)c1ccc(c(c1)C)O 269862a_100015525214_100000188726 [2,0,0,0,0,0|2,0,0]=4 734 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)O 269862a_100015525214_100000188625 [2,0,0,0,0,0|2,0,0]=4 735 B13R1.466 CCNC(C)c1ccc(c(c1)F)O 269862a_100015525214_100000751691 [2,0,0,0,0,0|2,0,0]=4 736 B13R1.466 CCNC(C)c1ccc(c(c1)O)C 269862a_100015525214_100000084092 [2,0,0,0,0,0|2,0,0]=4 737 B13R1.466 CCNC(C)c1ccc(c(c1)O)F 269862a_100015525214_100000117923 [2,0,0,0,0,0|2,0,0]=4 738 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [2,0,0,0,0,0|0,0,2]=4 739 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [2,0,0,0,0,0|0,0,0]=2 740 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_106832991635_100000761251 [2,0,0,0,0,0|2,0,0]=4 741 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100102657272_100000761251 [2,0,0,0,0,0|2,0,0]=4 742 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991635_100000761251 [2,0,0,0,0,0|2,0,0]=4 743 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [2,0,0,0,0,0|0,0,0]=2 744 B15R1.65 COc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000211451 [1,1,0,0,0,0|0,0,2]=4 745 B15R1.65 COc1cccc(c1)C(N)COC(C)C 34a_100020589383_100000210206 [1,1,0,0,0,0|2,0,0]=4 746 B15R1.133 C#CC(C)NCC(O)c1cccc(c1)O 34a_100020657549_200000035995 [1,1,0,0,0,0|0,0,1]=3 747 B15R1.133 CC(C#N)NCC(O)c1cccc(c1)O 2230a_100020657549_100000184139 [1,1,0,0,0,0|0,0,1]=3 748 B15R1.133 CC(CO)NCC(O)c1cccc(c1)O 2230a_100020657549_100012180447 [1,1,0,0,0,0|0,0,0]=2 749 B15R1.133 CC(CO)NCC(O)c1cccc(c1)O 34a_100020657549_100012180447 [1,1,0,0,0,0|0,0,0]=2 750 B15R1.133 CCC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210414 [1,1,0,0,0,0|1,0,1]=4 751 B15R1.133 CCC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100000210414 [1,1,0,0,0,0|1,0,1]=4 752 B15R1.133 CCC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_100000758301 [1,1,0,0,0,0|0,0,0]=2 753 B15R1.133 CCC(C)NCC(O)c1cccc(c1)O 34a_100020657549_100011215416 [1,1,0,0,0,0|0,0,0]=2 754 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 2708a_100102657272_100020657549 [1,1,0,0,0,0|1,0,1]=4 755 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 273464a_100102657272_100020657549 [1,1,0,0,0,0|1,0,1]=4 756 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 512a_100020657549_100102657272 [1,1,0,0,0,0|1,0,1]=4 757 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 512a_106832991638_100020657549 [1,1,0,0,0,0|1,0,1]=4 758 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210174 [1,1,0,0,0,0|1,0,1]=4 759 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 527a_100020657549_100000210174 [1,1,0,0,0,0|1,0,1]=4 760 B15R1.660 CC(C)CNC(CO)c1cccc(c1)O 2230a_100025717460_100000210760 [1,1,0,0,0,0|2,0,0]=4 761 B15R1.660 CC(C)CNC(CO)c1cccc(c1)O 270004a_100025717460_100000210432 [1,1,0,0,0,0|2,0,0]=4 762 B15R1.660 CC(C)CNC(CO)c1cccc(c1)O 34a_100025717460_100000210624 [1,1,0,0,0,0|2,0,0]=4 763 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)O)O 2230a_100138425928_100010006762 [1,1,0,0,0,0|0,0,2]=4 764 B15R1.5450 CC(C)NCC(=O)c1cc(cc(c1)O)O 34a_100138425928_100010006762 [1,1,0,0,0,0|0,0,2]=4 765 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)Br 2230a_100000749542_100000210206 [1,1,0,0,0,0|2,0,0]=4 766 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_100000210206 [1,1,0,0,0,0|2,0,0]=4 767 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)F 2230a_100000757675_100000210206 [1,1,0,0,0,0|2,0,0]=4 768 B15R1.5728 CC(C)NCC(C)(C)c1cccc(c1)F 34a_100000757675_100000210206 [1,1,0,0,0,0|2,0,0]=4 769 B15R1.8271 CC(C)NC(=O)C(O)c1cccc(c1)Cl 240690a_100138425928_100011216955 [1,1,0,0,0,0|1,0,1]=4 770 B15R1.8271 CC(C)NC(=O)C(O)c1cccc(c1)F 240690a_100138425928_100011434943 [1,1,0,0,0,0|1,0,1]=4 771 B15R1.8271 Cc1cccc(c1)C(O)C(=O)NC(C)C 240690a_100138425928_100011434945 [1,1,0,0,0,0|1,0,1]=4 772 B15R1.8272 CC(=O)N(C)C[C@H](O)c1cccc(c1)O 240690a_100009815823_100015343762 [1,1,0,0,0,0|1,0,1]=4 773 B15R1.8272 CC(=O)N(C)C[C@H](O)c1cccc(c1)O 527a_100009815823_100103153847 [1,1,0,0,0,0|1,0,1]=4 774 B15R1.8272 CC(C)C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210206 [1,1,0,0,0,0|2,0,0]=4 775 B15R1.8272 CC(C)N(C)CC(=O)c1cccc(c1)O 269982a_200000211004_100009813753 [1,1,0,0,0,0|0,0,2]=4 776 B15R1.8272 CC(C)N(C)CC(O)c1cccc(c1)Br 2230a_200000733937_100000210206 [1,1,0,0,0,0|1,0,0]=3 777 B15R1.8272 CC(C)N(C)CC(O)c1cccc(c1)Br 269982a_200000733937_100000210206 [1,1,0,0,0,0|1,0,0]=3 778 B15R1.8272 CC(C)N(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_100000210206 [1,1,0,0,0,0|0,0,0]=2 779 B15R1.8272 CC(C)N(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_100000210206 [1,1,0,0,0,0|0,0,0]=2 780 B15R1.8277 CC(C)(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210625 [1,1,0,0,0,0|0,0,0]=2 781 B15R1.8277 Oc1cccc(c1)C(O)CNC(F)(F)F 34a_100020657549_200103152311 [1,1,0,0,0,0|2,0,0]=4 782 B15R1.8420 CC(C)NCC(=O)c1cc(ccc1O)O 34a_100138425928_100009814097 [1,1,0,0,0,0|0,0,2]=4 783 B15R1.5 COc1ccc(cc1)C(=O)CNC(C)C 2230a_100138425928_100000212054 [1,1,0,0,0,0|0,0,2]=4 784 B15R1.5 COc1ccc(cc1)C(N)COC(C)C 34a_100000751956_100000210206 [1,1,0,0,0,0|2,0,0]=4 785 B15R1.5 COc1ccc(cc1)C(O)CNC(=O)C 240690a_100000738651_100015343762 [1,1,0,0,0,0|1,0,1]=4 786 B15R1.5 COc1ccc(cc1)C(O)CNC(=O)C 527a_100000738651_100103153847 [1,1,0,0,0,0|1,0,1]=4 787 B15R1.5 COc1ccc(cc1)C(O)CNC(C)C 2230a_100000738651_100000210206 [1,1,0,0,0,0|0,0,0]=2 788 B15R1.5 COc1ccc(cc1)C(O)CNC(C)C 34a_100000738651_100000210206 [1,1,0,0,0,0|0,0,0]=2 789 B15R1.132 C#CC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_200000035995 [1,1,0,0,0,0|1,0,1]=4 790 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_200000035995 [1,1,0,0,0,0|1,0,1]=4 791 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_200000035995 [1,1,0,0,0,0|1,0,1]=4 792 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000707721_200011996143 [1,1,0,0,0,0|1,0,1]=4 793 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000707721_200011996143 [1,1,0,0,0,0|1,0,1]=4 794 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_200000035995 [1,1,0,0,0,0|1,0,1]=4 795 B15R1.132 C#CC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_200000035995 [1,1,0,0,0,0|0,0,1]=3 796 B15R1.132 C#CC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000707721_100000720402 [1,1,0,0,0,0|1,0,1]=4 797 B15R1.132 C#CC(C)NC[C@H](O)c1ccc(cc1)F 34a_100000707721_100000720402 [1,1,0,0,0,0|1,0,1]=4 798 B15R1.132 CC(C#N)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000184139 [1,1,0,0,0,0|1,0,1]=4 799 B15R1.132 CC(C#N)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000184139 [1,1,0,0,0,0|1,0,1]=4 800 B15R1.132 CC(C#N)NCC(O)c1ccc(cc1)Cl 2230a_100000737613_200011996143 [1,1,0,0,0,0|1,0,1]=4 801 B15R1.132 CC(C#N)NC[C@H](O)c1ccc(cc1)F 2230a_100000737613_100000720402 [1,1,0,0,0,0|1,0,1]=4 802 B15R1.132 CC(CF)OCC(O)c1ccc(cc1)Cl 34a_100016041109_200011996143 [1,1,0,0,0,0|2,0,0]=4 803 B15R1.132 CC(CF)OCC(O)c1ccc(cc1)Cl 7a_100016041109_200011996143 [1,1,0,0,0,0|2,0,0]=4 804 B15R1.132 CC(CF)OC[C@H](O)c1ccc(cc1)F 34a_100016041109_100000720402 [1,1,0,0,0,0|2,0,0]=4 805 B15R1.132 CC(CF)OC[C@H](O)c1ccc(cc1)F 7a_100016041109_100000720402 [1,1,0,0,0,0|2,0,0]=4 806 B15R1.132 CC(CN)OCC(O)c1ccc(cc1)Cl 34a_100000210904_200011996143 [1,1,0,0,0,0|2,0,0]=4 807 B15R1.132 CC(CN)OC[C@H](O)c1ccc(cc1)F 34a_100000210904_100000720402 [1,1,0,0,0,0|2,0,0]=4 808 B15R1.132 CC(CO)NCC(C)c1ccc(cc1)O 34a_200015188644_100012180447 [1,1,0,0,0,0|1,0,0]=3 809 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100012180447 [1,1,0,0,0,0|1,0,0]=3 810 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Br 34a_100020626992_100012180447 [1,1,0,0,0,0|1,0,0]=3 811 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100012180447 [1,1,0,0,0,0|1,0,0]=3 812 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100012180447 [1,1,0,0,0,0|1,0,0]=3 813 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)O 34a_100000067596_100012180447 [1,1,0,0,0,0|0,0,0]=2 814 B15R1.132 CC(CO)SCC(O)c1ccc(cc1)Cl 62a_100012180447_200011996143 [1,1,0,0,0,0|2,0,0]=4 815 B15R1.132 CC(CO)SC[C@H](O)c1ccc(cc1)F 62a_100012180447_100000720402 [1,1,0,0,0,0|2,0,0]=4 816 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210414 [1,1,0,0,0,0|1,0,1]=4 817 B15R1.132 CCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_100011215416 [1,1,0,0,0,0|1,0,0]=3 818 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_100000758301 [1,1,0,0,0,0|1,0,0]=3 819 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100011215416 [1,1,0,0,0,0|1,0,0]=3 820 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_100000758301 [1,1,0,0,0,0|1,0,0]=3 821 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_100011215416 [1,1,0,0,0,0|1,0,0]=3 822 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000209981_200011996143 [1,1,0,0,0,0|1,0,0]=3 823 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000758301 [1,1,0,0,0,0|1,0,0]=3 824 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100011215416 [1,1,0,0,0,0|1,0,0]=3 825 B15R1.132 CCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100011215416 [1,1,0,0,0,0|0,0,0]=2 826 B15R1.132 CCC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000209981_100000720402 [1,1,0,0,0,0|1,0,0]=3 827 B15R1.132 CCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000210228_200011996143 [1,1,0,0,0,0|2,0,0]=4 828 B15R1.132 CCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000210228_100000720402 [1,1,0,0,0,0|2,0,0]=4 829 B15R1.132 CCC(C)SCC(O)c1ccc(cc1)Cl 62a_100000758301_200011996143 [1,1,0,0,0,0|2,0,0]=4 830 B15R1.132 CCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000758301 [1,1,0,0,0,0|2,0,0]=4 831 B15R1.132 CCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000758301 [1,1,0,0,0,0|2,0,0]=4 832 B15R1.132 CCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000758301_100000720402 [1,1,0,0,0,0|2,0,0]=4 833 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 2708a_100102657272_100000067596 [1,1,0,0,0,0|1,0,1]=4 834 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 273464a_100102657272_100000067596 [1,1,0,0,0,0|1,0,1]=4 835 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 512a_106832991638_100000067596 [1,1,0,0,0,0|1,0,1]=4 836 B15R1.132 COC(C)SCC(O)c1ccc(cc1)Cl 62a_100009879195_200011996143 [1,1,0,0,0,0|2,0,0]=4 837 B15R1.132 COC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100009879195 [1,1,0,0,0,0|2,0,0]=4 838 B15R1.132 COC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100009879195 [1,1,0,0,0,0|2,0,0]=4 839 B15R1.132 COC(C)SC[C@H](O)c1ccc(cc1)F 62a_100009879195_100000720402 [1,1,0,0,0,0|2,0,0]=4 840 B15R1.132 C[C@H](CO)NCC(O)c1ccc(cc1)Cl 2230a_100000737577_200011996143 [1,1,0,0,0,0|1,0,0]=3 841 B15R1.132 C[C@H](CO)NC[C@H](O)c1ccc(cc1)F 2230a_100000737577_100000720402 [1,1,0,0,0,0|1,0,0]=3 842 B15R1.132 C[C@H](CO)SCC(O)c1ccc(cc1)Cl 62a_100016084084_200011996143 [1,1,0,0,0,0|2,0,0]=4 843 B15R1.132 C[C@H](CO)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100016084084 [1,1,0,0,0,0|2,0,0]=4 844 B15R1.132 C[C@H](CO)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100016084084 [1,1,0,0,0,0|2,0,0]=4 845 B15R1.132 C[C@H](CO)SC[C@H](O)c1ccc(cc1)F 62a_100016084084_100000720402 [1,1,0,0,0,0|2,0,0]=4 846 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)C#N 2230a_200020610344_100000184139 [1,1,0,0,0,0|1,0,1]=4 847 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)CO 2230a_200020610344_100012180447 [1,1,0,0,0,0|1,0,0]=3 848 B15R1.132 Cc1ccc(cc1)C(O)CNC(C)CO 34a_200020610344_100012180447 [1,1,0,0,0,0|1,0,0]=3 849 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210174 [1,1,0,0,0,0|1,0,1]=4 850 B15R1.880 CC(C)CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210624 [1,1,0,0,0,0|1,0,1]=4 851 B15R1.880 CC(C)NC(=O)C(C)c1ccc(cc1)O 240690a_100138425928_100000031422 [1,1,0,0,0,0|1,0,1]=4 852 B15R1.880 CC(C)NC(=O)C(O)c1ccc(cc1)Br 240690a_100138425928_100000756554 [1,1,0,0,0,0|1,0,1]=4 853 B15R1.880 CC(C)NC(=O)C(O)c1ccc(cc1)F 240690a_100138425928_100000209909 [1,1,0,0,0,0|1,0,1]=4 854 B15R1.880 CC(C)NC(=O)C(O)c1ccc(cc1)O 240690a_100138425928_100011215213 [1,1,0,0,0,0|0,0,1]=3 855 B15R1.880 CC(C)NC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100138425928_100009817493 [1,1,0,0,0,0|1,0,1]=4 856 B15R1.880 CC(C)NC(C)C(=O)c1ccc(cc1)O 2230a_100138425928_200010205864 [1,1,0,0,0,0|0,0,2]=4 857 B15R1.880 CC(C)NC(C)C(=O)c1ccc(cc1)O 34a_100138425928_200010205864 [1,1,0,0,0,0|0,0,2]=4 858 B15R1.880 CC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210206 [1,1,0,0,0,0|1,0,0]=3 859 B15R1.880 CC(C)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210206 [1,1,0,0,0,0|1,0,0]=3 860 B15R1.880 Cc1ccc(cc1)[C@@H](O)C(=O)NC(C)C 240690a_100138425928_100009815954 [1,1,0,0,0,0|1,0,1]=4 861 B15R1.881 CC(=O)N(C)CC(O)c1ccc(cc1)O 240690a_100016988945_100015343762 [1,1,0,0,0,0|1,0,1]=4 862 B15R1.881 CC(C)C(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210198_200011996143 [1,1,0,0,0,0|2,0,0]=4 863 B15R1.881 CC(C)C(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210198_100000720402 [1,1,0,0,0,0|2,0,0]=4 864 B15R1.881 CC(C)N(C)CC(=O)c1ccc(cc1)O 269982a_200000211004_100009814261 [1,1,0,0,0,0|0,0,2]=4 865 B15R1.881 CC(C)N(C)CC(O)c1ccc(cc1)O 2230a_100016988945_100000210206 [1,1,0,0,0,0|0,0,0]=2 866 B15R1.881 CC(C)N(C)CC(O)c1ccc(cc1)O 269982a_100016988945_100000210206 [1,1,0,0,0,0|0,0,0]=2 867 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000210625 [1,1,0,0,0,0|1,0,0]=3 868 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000715429_200011996143 [1,1,0,0,0,0|1,0,0]=3 869 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210625 [1,1,0,0,0,0|1,0,0]=3 870 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000210625 [1,1,0,0,0,0|0,0,0]=2 871 B15R1.892 CC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000715429_100000720402 [1,1,0,0,0,0|1,0,0]=3 872 B15R1.892 CC(C)(C)OCC(O)c1ccc(cc1)Cl 34a_100015890283_200011996143 [1,1,0,0,0,0|2,0,0]=4 873 B15R1.892 CC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100015890283_200011996143 [1,1,0,0,0,0|2,0,0]=4 874 B15R1.892 CC(C)(C)OC[C@H](O)c1ccc(cc1)F 34a_100015890283_100000720402 [1,1,0,0,0,0|2,0,0]=4 875 B15R1.892 CC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100015890283_100000720402 [1,1,0,0,0,0|2,0,0]=4 876 B15R1.892 CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_100000211941_200011996143 [1,1,0,0,0,0|2,0,0]=4 877 B15R1.892 CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211941 [1,1,0,0,0,0|2,0,0]=4 878 B15R1.892 CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000211941_100000720402 [1,1,0,0,0,0|2,0,0]=4 879 B15R1.892 CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211941 [1,1,0,0,0,0|2,0,0]=4 880 B15R1.892 CC(CNC(C)(C)C)c1ccc(cc1)O 34a_200015188644_100000210625 [1,1,0,0,0,0|1,0,0]=3 881 B15R1.892 Cc1ccc(cc1)C(O)CNC(C)(C)C 34a_200020610344_100000210625 [1,1,0,0,0,0|1,0,0]=3 882 B15R1.892 Oc1ccc(cc1)C(O)CNC(F)(F)F 34a_100000067596_200103152311 [1,1,0,0,0,0|2,0,0]=4 883 B15R1.903 CC(C)NCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_100000210206 [1,1,0,0,0,0|2,0,0]=4 884 B15R1.903 CC(C)NCC(F)(F)c1ccc(cc1)Br 34a_100138425928_100010185546 [1,1,0,0,0,0|2,0,0]=4 885 B15R1.5822 CC(C)NCC(=O)c1ccc(cc1O)O 34a_100138425928_100009814262 [1,1,0,0,0,0|0,0,2]=4 886 B15R1.5822 CC(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100138425928_100000761269 [1,1,0,0,0,0|1,0,0]=3 887 B15R1.5822 CC(C)NC[C@@H](O)c1ccc(cc1F)F 34a_100138425928_100000761269 [1,1,0,0,0,0|1,0,0]=3 888 B15R1.5822 CC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100138425928_100000761231 [1,1,0,0,0,0|1,0,0]=3 889 B15R1.5822 CC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138425928_100000761231 [1,1,0,0,0,0|1,0,0]=3 890 B15R1.5822 CC(C)OC[C@@H](O)c1ccc(cc1F)F 34a_100000212225_100000761269 [1,1,0,0,0,0|2,0,0]=4 891 B15R1.5822 CC(C)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000212225_100000761231 [1,1,0,0,0,0|2,0,0]=4 892 B15R1.5822 CC(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000210206_100000761269 [1,1,0,0,0,0|2,0,0]=4 893 B15R1.5822 CC(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210206 [1,1,0,0,0,0|2,0,0]=4 894 B15R1.5822 CC(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210206_100000761231 [1,1,0,0,0,0|2,0,0]=4 895 B15R1.5822 CC(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210206 [1,1,0,0,0,0|2,0,0]=4 896 B15R1.883 CC(C)CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210624 [1,1,0,0,0,0|1,0,1]=4 897 B15R1.883 CC(C)CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000731052 [1,1,0,0,0,0|2,0,0]=4 898 B15R1.883 CC(C)CC(C)Sc1ccc(c(c1)O)O 62a_100000731052_100009813601 [1,1,0,0,0,0|2,0,0]=4 899 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)Br)O 240690a_100138425928_100009990404 [1,1,0,0,0,0|1,0,1]=4 900 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)Br)O 527a_100138425928_100009990404 [1,1,0,0,0,0|1,0,1]=4 901 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)Cl)O 240690a_100138425928_100000035197 [1,1,0,0,0,0|1,0,1]=4 902 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)Cl)O 527a_100138425928_100000035197 [1,1,0,0,0,0|1,0,1]=4 903 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)F)O 240690a_100138425928_100000039761 [1,1,0,0,0,0|1,0,1]=4 904 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)F)O 527a_100138425928_100000039761 [1,1,0,0,0,0|1,0,1]=4 905 B15R1.883 CC(C)NC(=O)Cc1ccc(c(c1)O)O 527a_100138425928_100000031429 [1,1,0,0,0,0|0,0,1]=3 906 B15R1.883 CC(C)NC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100138425928 [1,1,0,0,0,0|1,0,1]=4 907 B15R1.883 Cc1cc(ccc1O)CC(=O)NC(C)C 240690a_100138425928_100000083968 [1,1,0,0,0,0|1,0,1]=4 908 B15R1.883 Cc1cc(ccc1O)CC(=O)NC(C)C 527a_100138425928_100000083968 [1,1,0,0,0,0|1,0,1]=4 909 B15R1.883 Cc1ccc(cc1O)CC(=O)NC(C)C 11a_100138425928_100000082272 [1,1,0,0,0,0|1,0,1]=4 910 B15R1.883 Cc1ccc(cc1O)CC(=O)NC(C)C 240690a_100138425928_100000082272 [1,1,0,0,0,0|1,0,1]=4 911 B15R1.883 Cc1ccc(cc1O)CC(=O)NC(C)C 527a_100138425928_100000082272 [1,1,0,0,0,0|1,0,1]=4 912 B15R1.884 CC(C)C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_100000210206 [1,1,0,0,0,0|1,0,0]=3 913 B15R1.884 CC(C)C(=O)CCc1ccc(c(c1)O)O 1458a_100000210198_200010393615 [1,1,0,0,0,0|1,0,0]=3 914 B15R1.884 CC(C)C(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000753385 [1,1,0,0,0,0|2,0,0]=4 915 B15R1.884 CC(C)C(=O)CSc1ccc(c(c1)O)O 62a_100000753385_100009813601 [1,1,0,0,0,0|2,0,0]=4 916 B15R1.884 CC(C)C(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210198 [1,1,0,0,0,0|2,0,0]=4 917 B15R1.884 CC(C)N(C)CCc1ccc(c(c1)Cl)Cl 269982a_200000211004_100011713676 [1,1,0,0,0,0|2,0,0]=4 918 B15R1.884 CC(C)N(C)CCc1ccc(c(c1)Cl)F 269982a_200000211004_100012361305 [1,1,0,0,0,0|2,0,0]=4 919 B15R1.884 CC(C)N(C)CCc1ccc(c(c1)F)F 269982a_200000211004_100000690553 [1,1,0,0,0,0|2,0,0]=4 920 B15R1.884 CC(C)N(C)CCc1ccc(c(c1)O)O 269982a_200000211004_200010393615 [1,1,0,0,0,0|0,0,0]=2 921 B15R1.884 CC(F)C(=O)CCc1ccc(c(c1)O)O 1458a_100000062450_200010393615 [1,1,0,0,0,0|2,0,0]=4 922 B15R1.884 CN(C)C(=O)CCc1ccc(c(c1)O)O 271570a_200010232142_100009813601 [1,1,0,0,0,0|2,0,0]=4 923 B15R1.884 C[C@@H](O)C(=O)CCc1ccc(c(c1)O)O 1458a_100000717761_200010393615 [1,1,0,0,0,0|2,0,0]=4 924 B15R1.884 C[C@H](O)C(=O)CCc1ccc(c(c1)O)O 1458a_217856618621_200010393615 [1,1,0,0,0,0|2,0,0]=4 925 B15R1.887 CC(C)(C)CCNc1ccc(c(c1)O)O 34a_100102946323_100000755188 [1,1,0,0,0,0|2,0,0]=4 926 B15R1.887 CC(C)(C)CCSc1ccc(c(c1)O)O 62a_100000755188_100009813601 [1,1,0,0,0,0|2,0,0]=4 927 B15R1.887 CC(C)(C)CNCc1ccc(c(c1)O)O 34a_100000010075_100011219605 [1,1,0,0,0,0|2,0,0]=4 928 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100000715429_100011713676 [1,1,0,0,0,0|2,0,0]=4 929 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210625 [1,1,0,0,0,0|2,0,0]=4 930 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)Cl)F 2230a_100000715429_100012361305 [1,1,0,0,0,0|2,0,0]=4 931 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210625 [1,1,0,0,0,0|2,0,0]=4 932 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)F)F 2230a_100000715429_100000690553 [1,1,0,0,0,0|2,0,0]=4 933 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)F)F 34a_200000706328_100000210625 [1,1,0,0,0,0|2,0,0]=4 934 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)O)O 34a_100000210387_100000210625 [1,1,0,0,0,0|0,0,0]=2 935 B15R1.887 CC(C)(C)NN=Cc1ccc(c(c1)O)O 4a_100000725372_100000184535 [1,1,0,0,0,0|1,0,1]=4 936 B15R1.887 CC(C)(C)OCCc1ccc(c(c1)O)O 7a_100015890283_200010393615 [1,1,0,0,0,0|1,0,0]=3 937 B15R1.887 CC(C)(C)SCCc1ccc(c(c1)O)O 62a_100000211941_200010393615 [1,1,0,0,0,0|1,0,0]=3 938 B15R1.887 CC(C)(F)CNCc1ccc(c(c1)O)O 34a_100000010075_100011997219 [1,1,0,0,0,0|2,0,0]=4 939 B15R1.887 CC(C)(O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000702414 [1,1,0,0,0,0|2,0,0]=4 940 B15R1.887 CC(C)(O)CCSc1ccc(c(c1)O)O 62a_100000702414_100009813601 [1,1,0,0,0,0|2,0,0]=4 941 B15R1.887 CC(C)(O)CNCc1ccc(c(c1)O)O 34a_100000010075_100000764493 [1,1,0,0,0,0|2,0,0]=4 942 B15R1.887 Cc1ccc(cc1C)CCNC(C)(C)C 34a_100020591374_100000210625 [1,1,0,0,0,0|2,0,0]=4 943 B15R1.887 Oc1ccc(cc1O)CCNC(F)(F)F 34a_100000210387_200103152311 [1,1,0,0,0,0|2,0,0]=4 944 B15R1.3778 CC(C)CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210312 [1,1,0,0,0,0|2,0,0]=4 945 B15R1.3778 CC(C)CCSc1ccc(c(c1)O)CO 62a_100000210312_100000071718 [1,1,0,0,0,0|2,0,0]=4 946 B15R1.3778 CC(C)OCSc1ccc(c(c1)O)CO 62a_100000071718_100000709892 [1,1,0,0,0,0|2,0,0]=4 947 B15R1.3778 CC(C)OCSc1ccc(c(c1)O)CO 62a_100000709892_100000071718 [1,1,0,0,0,0|2,0,0]=4 948 B15R1.3778 COc1ccc(cc1Br)CCNC(C)C 2230a_103549771065_100000210206 [1,1,0,0,0,0|1,0,0]=3 949 B15R1.3778 COc1ccc(cc1Br)CCNC(C)C 34a_103549771065_100000210206 [1,1,0,0,0,0|1,0,0]=3 950 B15R1.3778 COc1ccc(cc1Br)CCOC(C)C 34a_100011962876_100000210206 [1,1,0,0,0,0|2,0,0]=4 951 B15R1.3778 COc1ccc(cc1Br)CCOC(C)C 7a_100011962876_100000210206 [1,1,0,0,0,0|2,0,0]=4 952 B15R1.3778 COc1ccc(cc1Cl)CCNC(C)C 2230a_100025770840_100000210206 [1,1,0,0,0,0|1,0,0]=3 953 B15R1.3778 COc1ccc(cc1Cl)CCNC(C)C 34a_100025770840_100000210206 [1,1,0,0,0,0|1,0,0]=3 954 B15R1.3778 COc1ccc(cc1F)CCOC(C)C 34a_100011755164_100000210206 [1,1,0,0,0,0|2,0,0]=4 955 B15R1.3778 COc1ccc(cc1F)CCOC(C)C 7a_100011755164_100000210206 [1,1,0,0,0,0|2,0,0]=4 956 B15R1.3778 COc1ccc(cc1O)C=NNC(C)C 4a_100000741168_100000211151 [1,1,0,0,0,0|1,0,1]=4 957 B15R1.3778 COc1ccc(cc1O)CCNC(=O)C 240690a_100011207234_100015343762 [1,1,0,0,0,0|1,0,1]=4 958 B15R1.3778 COc1ccc(cc1O)CCNC(=O)C 527a_100011207234_100103153847 [1,1,0,0,0,0|1,0,1]=4 959 B15R1.3778 COc1ccc(cc1O)CCNC(C)C 2230a_100011207234_100000210206 [1,1,0,0,0,0|0,0,0]=2 960 B15R1.3778 COc1ccc(cc1O)CCNC(C)C 34a_100011207234_100000210206 [1,1,0,0,0,0|0,0,0]=2 961 B15R1.3778 COc1ccc(cc1O)CNCC(C)C 34a_100000740000_100000210624 [1,1,0,0,0,0|2,0,0]=4 962 B15R1.3778 COc1ccc(cc1O)NCCC(C)C 34a_100000211920_100000210312 [1,1,0,0,0,0|2,0,0]=4 963 B15R1.3778 COc1ccc(cc1O)NCOC(C)C 34a_100000211920_100000709892 [1,1,0,0,0,0|2,0,0]=4 964 B15R1.3778 COc1ccc(cc1O)SCCC(C)C 62a_100000210312_100009816560 [1,1,0,0,0,0|2,0,0]=4 965 B15R1.3778 COc1ccc(cc1O)SCOC(C)C 62a_100000709892_100009816560 [1,1,0,0,0,0|2,0,0]=4 966 B15R1.4030 CC(C)CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210312 [1,1,0,0,0,0|2,0,0]=4 967 B15R1.4030 CC(C)CCSc1ccc(c(c1)CO)O 62a_100000210312_100000184703 [1,1,0,0,0,0|2,0,0]=4 968 B15R1.4030 CC(C)OCSc1ccc(c(c1)CO)O 62a_100000184703_100000709892 [1,1,0,0,0,0|2,0,0]=4 969 B15R1.4030 CC(C)OCSc1ccc(c(c1)CO)O 62a_100000709892_100000184703 [1,1,0,0,0,0|2,0,0]=4 970 B15R1.4030 COc1cc(ccc1O)C=NNC(C)C 4a_100000741168_100000188322 [1,1,0,0,0,0|1,0,1]=4 971 B15R1.4030 COc1cc(ccc1O)CCNC(=O)C 240690a_100000756042_100015343762 [1,1,0,0,0,0|1,0,1]=4 972 B15R1.4030 COc1cc(ccc1O)CCNC(=O)C 527a_100000756042_100103153847 [1,1,0,0,0,0|1,0,1]=4 973 B15R1.4030 COc1cc(ccc1O)CCNC(C)C 2230a_100138425928_100010741665 [1,1,0,0,0,0|0,0,0]=2 974 B15R1.4030 COc1cc(ccc1O)CCNC(C)C 34a_100000756042_100000210206 [1,1,0,0,0,0|0,0,0]=2 975 B15R1.4030 COc1cc(ccc1O)CCSC(C)C 62a_100000210206_100010741665 [1,1,0,0,0,0|1,0,0]=3 976 B15R1.4030 COc1cc(ccc1O)CNCC(C)C 34a_100000185554_100000210624 [1,1,0,0,0,0|2,0,0]=4 977 B15R1.4030 COc1cc(ccc1O)NCCC(C)C 34a_100000726020_100000210312 [1,1,0,0,0,0|2,0,0]=4 978 B15R1.4030 COc1cc(ccc1O)NCOC(C)C 34a_100000726020_100000709892 [1,1,0,0,0,0|2,0,0]=4 979 B15R1.4030 COc1cc(ccc1O)SCCC(C)C 62a_100000210312_100000694246 [1,1,0,0,0,0|2,0,0]=4 980 B15R1.4030 COc1cc(ccc1O)SCOC(C)C 62a_100000709892_100000694246 [1,1,0,0,0,0|2,0,0]=4 981 B15R1.8398 CC(=O)NCCc1cc(c(cc1O)O)O 240690a_200000106461_100015343762 [1,1,0,0,0,0|1,0,1]=4 982 B15R1.8398 CC(=O)NCCc1cc(c(cc1O)O)O 527a_200000106461_100103153847 [1,1,0,0,0,0|1,0,1]=4 983 B15R1.8398 CC(C)NN=Cc1cc(c(cc1O)O)O 4a_100000741168_100000042415 [1,1,0,0,0,0|1,0,1]=4 984 B15R1.8409 CC(C)NN=Cc1ccc(c(c1Br)O)O 4a_100000741168_200010659824 [1,1,0,0,0,0|1,0,1]=4 985 B15R1.8409 CC(C)NN=Cc1ccc(c(c1O)O)O 4a_100000741168_100000212131 [1,1,0,0,0,0|1,0,1]=4 986 B15R1.11630 C#CC(C)NCCc1ccc(c(c1)O)O 34a_100000210387_200000035995 [1,1,0,0,0,0|0,0,1]=3 987 B15R1.11630 C#CC(C)SCCc1ccc(c(c1)O)O 62a_200000035995_200010393615 [1,1,0,0,0,0|1,0,1]=4 988 B15R1.11630 C#C[C@@H](C)OCCc1ccc(c(c1)O)O 7a_100009815206_200010393615 [1,1,0,0,0,0|1,0,1]=4 989 B15R1.11630 C=CC(C)SCCc1ccc(c(c1)O)O 62a_100011215867_200010393615 [1,1,0,0,0,0|1,0,1]=4 990 B15R1.11630 CC(C#N)SCCc1ccc(c(c1)O)O 62a_100000703298_200010393615 [1,1,0,0,0,0|1,0,1]=4 991 B15R1.11630 CC(CF)OCCc1ccc(c(c1)O)O 7a_100016041109_200010393615 [1,1,0,0,0,0|1,0,0]=3 992 B15R1.11630 CC(CO)NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100012180447 [1,1,0,0,0,0|2,0,0]=4 993 B15R1.11630 CC(CO)NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100012180447 [1,1,0,0,0,0|2,0,0]=4 994 B15R1.11630 CC(CO)NCCc1ccc(c(c1)Cl)F 2230a_200011997520_100012180447 [1,1,0,0,0,0|2,0,0]=4 995 B15R1.11630 CC(CO)NCCc1ccc(c(c1)Cl)F 34a_200011997520_100012180447 [1,1,0,0,0,0|2,0,0]=4 996 B15R1.11630 CC(CO)NCCc1ccc(c(c1)F)F 2230a_200000706328_100012180447 [1,1,0,0,0,0|2,0,0]=4 997 B15R1.11630 CC(CO)NCCc1ccc(c(c1)F)F 34a_200000706328_100012180447 [1,1,0,0,0,0|2,0,0]=4 998 B15R1.11630 CC(CO)NCCc1ccc(c(c1)O)O 34a_100000210387_100012180447 [1,1,0,0,0,0|0,0,0]=2 999 B15R1.11630 CC(CO)SCCc1ccc(c(c1)O)O 62a_100012180447_200010393615 [1,1,0,0,0,0|1,0,0]=3 1000 B15R1.11630 CCC(=O)NCCc1ccc(c(c1)O)O 240690a_100000210387_100000210414 [1,1,0,0,0,0|1,0,1]=4 1001 B15R1.11630 CCC(=O)NCCc1ccc(c(c1)O)O 527a_100000210387_100000210414 [1,1,0,0,0,0|1,0,1]=4 1002 B15R1.11630 CCC(C)CNCc1ccc(c(c1)O)O 34a_100000010075_100000748023 [1,1,0,0,0,0|2,0,0]=4 1003 B15R1.11630 CCC(C)NCCc1ccc(c(c1)C)C 2230a_100020591374_100000758301 [1,1,0,0,0,0|2,0,0]=4 1004 B15R1.11630 CCC(C)NCCc1ccc(c(c1)C)C 34a_100020591374_100011215416 [1,1,0,0,0,0|2,0,0]=4 1005 B15R1.11630 CCC(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100000209981_100011713676 [1,1,0,0,0,0|2,0,0]=4 1006 B15R1.11630 CCC(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000758301 [1,1,0,0,0,0|2,0,0]=4 1007 B15R1.11630 CCC(C)NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100011215416 [1,1,0,0,0,0|2,0,0]=4 1008 B15R1.11630 CCC(C)NCCc1ccc(c(c1)Cl)F 2230a_100000209981_100012361305 [1,1,0,0,0,0|2,0,0]=4 1009 B15R1.11630 CCC(C)NCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000758301 [1,1,0,0,0,0|2,0,0]=4 1010 B15R1.11630 CCC(C)NCCc1ccc(c(c1)Cl)F 34a_200011997520_100011215416 [1,1,0,0,0,0|2,0,0]=4 1011 B15R1.11630 CCC(C)NCCc1ccc(c(c1)F)F 2230a_100000209981_100000690553 [1,1,0,0,0,0|2,0,0]=4 1012 B15R1.11630 CCC(C)NCCc1ccc(c(c1)F)F 2230a_200000706328_100000758301 [1,1,0,0,0,0|2,0,0]=4 1013 B15R1.11630 CCC(C)NCCc1ccc(c(c1)F)F 34a_200000706328_100011215416 [1,1,0,0,0,0|2,0,0]=4 1014 B15R1.11630 CCC(C)NCCc1ccc(c(c1)O)O 34a_100000210387_100011215416 [1,1,0,0,0,0|0,0,0]=2 1015 B15R1.11630 CCC(C)NN=Cc1ccc(c(c1)O)O 4a_100000718999_100000184535 [1,1,0,0,0,0|1,0,1]=4 1016 B15R1.11630 CCC(C)OCCc1ccc(c(c1)O)O 7a_100000210228_200010393615 [1,1,0,0,0,0|1,0,0]=3 1017 B15R1.11630 CCC(C)SCCc1ccc(c(c1)O)O 62a_100000758301_200010393615 [1,1,0,0,0,0|1,0,0]=3 1018 B15R1.11630 CC[C@H](C)CNCc1ccc(c(c1)O)O 34a_100000010075_100009816398 [1,1,0,0,0,0|2,0,0]=4 1019 B15R1.11630 CNC(=O)NCCc1ccc(c(c1)O)O 2708a_100000210387_106832991635 [1,1,0,0,0,0|1,0,1]=4 1020 B15R1.11630 CNC(=O)NCCc1ccc(c(c1)O)O 273464a_100000210387_100102657272 [1,1,0,0,0,0|1,0,1]=4 1021 B15R1.11630 CNC(=O)NCCc1ccc(c(c1)O)O 273464a_100102657272_100000210387 [1,1,0,0,0,0|1,0,1]=4 1022 B15R1.11630 CNC(=O)NCCc1ccc(c(c1)O)O 512a_106832991638_100000210387 [1,1,0,0,0,0|1,0,1]=4 1023 B15R1.11630 COC(C)SCCc1ccc(c(c1)O)O 62a_100009879195_200010393615 [1,1,0,0,0,0|1,0,0]=3 1024 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)O)O 34a_100000010075_100000059175 [1,1,0,0,0,0|2,0,0]=4 1025 B15R1.11630 C[C@H](CO)NCCc1ccc(c(c1)Cl)Cl 2230a_100000737577_100011713676 [1,1,0,0,0,0|2,0,0]=4 1026 B15R1.11630 C[C@H](CO)NCCc1ccc(c(c1)Cl)F 2230a_100000737577_100012361305 [1,1,0,0,0,0|2,0,0]=4 1027 B15R1.11630 C[C@H](CO)NCCc1ccc(c(c1)F)F 2230a_100000737577_100000690553 [1,1,0,0,0,0|2,0,0]=4 1028 B15R1.11630 C[C@H](CO)SCCc1ccc(c(c1)O)O 62a_100016084084_200010393615 [1,1,0,0,0,0|1,0,0]=3 1029 B15R1.11630 Cc1ccc(cc1C)CCNC(C)CO 2230a_100020591374_100012180447 [1,1,0,0,0,0|2,0,0]=4 1030 B15R1.11630 Cc1ccc(cc1C)CCNC(C)CO 34a_100020591374_100012180447 [1,1,0,0,0,0|2,0,0]=4 1031 B15R1.11630 O=C(CO)NCCc1ccc(c(c1)O)O 240690a_100000210387_100000210174 [1,1,0,0,0,0|1,0,1]=4 1032 B15R1.11630 O=C(CO)NCCc1ccc(c(c1)O)O 527a_100000210387_100000210174 [1,1,0,0,0,0|1,0,1]=4 1033 B15R1.28956 CC(C)CCSc1cc(c(c(c1)F)O)O 62a_100000210312_100010114375 [1,1,0,0,0,0|2,0,0]=4 1034 B15R1.28956 CC(C)CCSc1cc(c(c(c1)O)O)O 62a_100000210312_100010658518 [1,1,0,0,0,0|2,0,0]=4 1035 B15R1.28956 CC(C)NN=Cc1cc(c(c(c1)Br)O)O 4a_100000741168_100000687232 [1,1,0,0,0,0|1,0,1]=4 1036 B15R1.28956 CC(C)NN=Cc1cc(c(c(c1)O)O)O 4a_100000741168_100000042491 [1,1,0,0,0,0|1,0,1]=4 1037 B15R1.28956 CC(C)OCSc1cc(c(c(c1)F)O)O 62a_100000709892_100010114375 [1,1,0,0,0,0|2,0,0]=4 1038 B15R1.28956 CC(C)OCSc1cc(c(c(c1)O)O)O 62a_100000709892_100010658518 [1,1,0,0,0,0|2,0,0]=4 1039 B15R1.758 CCN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000225621_100000183813 [1,1,0,0,0,0|0,0,2]=4 1040 B15R1.758 CCN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000225621_100000761251 [1,1,0,0,0,0|2,0,0]=4 1041 B15R1.758 CCN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000225621_100000761251 [1,1,0,0,0,0|2,0,0]=4 1042 B15R1.1404 C#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000184674 [1,1,0,0,0,0|0,0,1]=3 1043 B15R1.1404 C=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100015514636 [1,1,0,0,0,0|0,0,1]=3 1044 B15R1.1404 CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210303 [1,1,0,0,0,0|0,0,0]=2 1045 B15R1.1404 CSCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218213 [1,1,0,0,0,0|0,0,0]=2 1046 B15R1.1404 O=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200009817547 [1,1,0,0,0,0|0,0,1]=3 1047 B15R1.1404 OCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000211926 [1,1,0,0,0,0|0,0,0]=2 1048 B15R1.1404 OCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100016997473_100000761251 [1,1,0,0,0,0|2,0,0]=4 1049 B15R1.1404 OCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100016990907_100000761251 [1,1,0,0,0,0|2,0,0]=4 1050 B15R1.1404 O[C@H](CNCCF)c1ccc(c(c1)F)F 34a_100000724931_100000761251 [1,1,0,0,0,0|2,0,0]=4 1051 B15R1.1404 Oc1ccc(cc1O)C(O)CNCCF 34a_100000106456_100011217306 [1,1,0,0,0,0|0,0,0]=2 1052 B15R1.3956 CCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210303 [1,1,0,0,0,0|1,0,1]=4 1053 B15R1.3956 CCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100015525214_200000032065 [1,1,0,0,0,0|0,0,1]=3 1054 B15R1.890 CC(C)C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210206 [0,1,0,0,1,0|0,0,1]=3 1055 B15R1.890 CN(C)C(=O)C(O)c1ccc(c(c1)O)O 240690a_100102631434_200000032065 [0,1,0,0,1,0|1,0,1]=4 1056 B15R1.3128 CC(C)NC(CO)c1ccc(c(c1)Cl)Cl 2230a_100011404344_100000210206 [0,1,0,0,1,0|2,0,0]=4 1057 B15R1.3128 CC(C)NC(CO)c1ccc(c(c1)Cl)Cl 34a_100011404344_100000210206 [0,1,0,0,1,0|2,0,0]=4 1058 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)Br)CO 271570a_100015190218_100010240206 [0,1,0,0,1,0|2,0,0]=4 1059 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)F)CO 271570a_100015190218_100011191541 [0,1,0,0,1,0|2,0,0]=4 1060 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)N)CO 271570a_100015190218_100000718831 [0,1,0,0,1,0|2,0,0]=4 1061 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)O)C#N 271570a_100015190218_100011934713 [0,1,0,0,1,0|2,0,0]=4 1062 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)O)C=O 271570a_100015190218_100011277552 [0,1,0,0,1,0|1,0,1]=4 1063 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)O)CO 271570a_100015190218_100000071718 [0,1,0,0,1,0|1,0,0]=3 1064 B15R1.3776 COc1ccc(cc1Br)[C@@H](N)CC(C)C 271570a_100015190218_100011249507 [0,1,0,0,1,0|2,0,0]=4 1065 B15R1.3776 COc1ccc(cc1C)C(C)NC(C)C 2230a_100015183133_100000210206 [0,1,0,0,1,0|2,0,0]=4 1066 B15R1.3776 COc1ccc(cc1C)C(C)NC(C)C 34a_100015183133_100000210206 [0,1,0,0,1,0|2,0,0]=4 1067 B15R1.3776 COc1ccc(cc1C)[C@@H](N)CC(C)C 271570a_100015190218_100011219705 [0,1,0,0,1,0|2,0,0]=4 1068 B15R1.3776 COc1ccc(cc1Cl)[C@@H](N)CC(C)C 271570a_100015190218_100012355395 [0,1,0,0,1,0|2,0,0]=4 1069 B15R1.3776 COc1ccc(cc1F)C(C)NC(C)C 2230a_100000204609_100000210206 [0,1,0,0,1,0|2,0,0]=4 1070 B15R1.3776 COc1ccc(cc1F)C(C)NC(C)C 34a_100000204609_100000210206 [0,1,0,0,1,0|2,0,0]=4 1071 B15R1.3776 COc1ccc(cc1F)[C@@H](N)CC(C)C 271570a_100015190218_100000185480 [0,1,0,0,1,0|2,0,0]=4 1072 B15R1.3776 COc1ccc(cc1N)[C@@H](N)CC(C)C 271570a_100015190218_100000743470 [0,1,0,0,1,0|2,0,0]=4 1073 B15R1.3776 COc1ccc(cc1O)C(=O)CC(C)C 1458a_100000766810_100000210624 [0,1,0,0,1,0|0,0,2]=4 1074 B15R1.3776 COc1ccc(cc1O)C(=O)NC(C)C 240690a_100138425928_100000766810 [0,1,0,0,1,0|0,0,2]=4 1075 B15R1.3776 COc1ccc(cc1O)C(=O)NC(C)C 527a_100138425928_100000766810 [0,1,0,0,1,0|0,0,2]=4 1076 B15R1.3776 COc1ccc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100009816560 [0,1,0,0,1,0|1,0,0]=3 1077 B15R1.3776 COc1cnc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100010264082 [0,1,0,0,1,0|2,0,0]=4 1078 B15R1.3776 COc1ncc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100010135713 [0,1,0,0,1,0|2,0,0]=4 1079 B15R1.3776 Cc1cc(ccc1CO)[C@@H](N)CC(C)C 271570a_100015190218_100000748258 [0,1,0,0,1,0|2,0,0]=4 1080 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)C#N)O 271570a_100015190218_100000687585 [0,1,0,0,1,0|2,0,0]=4 1081 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)C=O)O 271570a_100015190218_100000186750 [0,1,0,0,1,0|1,0,1]=4 1082 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CN)O 271570a_100015190218_100000730032 [0,1,0,0,1,0|2,0,0]=4 1083 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)Br 271570a_100015190218_100012359683 [0,1,0,0,1,0|2,0,0]=4 1084 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)Cl 271570a_100015190218_100010128486 [0,1,0,0,1,0|2,0,0]=4 1085 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)F 271570a_100015190218_100000049604 [0,1,0,0,1,0|2,0,0]=4 1086 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)N 271570a_100015190218_100012353972 [0,1,0,0,1,0|2,0,0]=4 1087 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)O 271570a_100015190218_100000184703 [0,1,0,0,1,0|1,0,0]=3 1088 B15R1.4037 CC(C)C[C@H](N)c1cnc(c(c1)CO)O 271570a_100015190218_100010065268 [0,1,0,0,1,0|2,0,0]=4 1089 B15R1.4037 CCc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100012338938 [0,1,0,0,1,0|2,0,0]=4 1090 B15R1.4037 COc1cc(ccc1Br)[C@@H](N)CC(C)C 271570a_100015190218_100012353699 [0,1,0,0,1,0|2,0,0]=4 1091 B15R1.4037 COc1cc(ccc1C)[C@@H](N)CC(C)C 271570a_100015190218_100011830276 [0,1,0,0,1,0|2,0,0]=4 1092 B15R1.4037 COc1cc(ccc1Cl)[C@@H](N)CC(C)C 271570a_100015190218_100011356853 [0,1,0,0,1,0|2,0,0]=4 1093 B15R1.4037 COc1cc(ccc1F)[C@@H](N)CC(C)C 271570a_100015190218_100011934186 [0,1,0,0,1,0|2,0,0]=4 1094 B15R1.4037 COc1cc(ccc1F)[C@H](C)NC(C)C 2230a_100025717271_100000210206 [0,1,0,0,1,0|2,0,0]=4 1095 B15R1.4037 COc1cc(ccc1F)[C@H](C)NC(C)C 34a_100025717271_100000210206 [0,1,0,0,1,0|2,0,0]=4 1096 B15R1.4037 COc1cc(ccc1N)[C@@H](N)CC(C)C 271570a_100015190218_100011279103 [0,1,0,0,1,0|2,0,0]=4 1097 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)C 1458a_100000687070_100000210624 [0,1,0,0,1,0|0,0,2]=4 1098 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100000687070 [0,1,0,0,1,0|0,0,2]=4 1099 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 271570a_203496583355_200010239583 [0,1,0,0,1,0|0,0,2]=4 1100 B15R1.4037 COc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000694246 [0,1,0,0,1,0|1,0,0]=3 1101 B15R1.4037 COc1nc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100010893133 [0,1,0,0,1,0|2,0,0]=4 1102 B15R1.4037 Cc1ccc(cc1CO)[C@@H](N)CC(C)C 271570a_100015190218_100000700630 [0,1,0,0,1,0|2,0,0]=4 1103 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1Br)Cl)O 271570a_100015190218_100021297947 [0,1,0,0,1,0|2,0,0]=4 1104 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1Cl)O)N 271570a_100015190218_100011011175 [0,1,0,0,1,0|2,0,0]=4 1105 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1F)Cl)O 271570a_100015190218_100010735246 [0,1,0,0,1,0|2,0,0]=4 1106 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1F)F)O 271570a_100015190218_100012457948 [0,1,0,0,1,0|2,0,0]=4 1107 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1F)N)O 271570a_100015190218_100013038943 [0,1,0,0,1,0|2,0,0]=4 1108 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1F)O)F 271570a_100015190218_100011830439 [0,1,0,0,1,0|2,0,0]=4 1109 B15R1.8385 CC(C)C[C@H](N)c1cc(c(cc1F)O)N 271570a_100015190218_100012359894 [0,1,0,0,1,0|2,0,0]=4 1110 B15R1.8385 Cc1cc(c(cc1O)C)[C@@H](N)CC(C)C 271570a_100015190218_100000698207 [0,1,0,0,1,0|2,0,0]=4 1111 B15R1.8385 Cc1cc(c(cc1O)[C@@H](N)CC(C)C)F 271570a_100015190218_100014242602 [0,1,0,0,1,0|2,0,0]=4 1112 B15R1.8385 Cc1cc(c(cc1[C@@H](N)CC(C)C)F)O 271570a_100015190218_100012355673 [0,1,0,0,1,0|2,0,0]=4 1113 B15R1.8385 Cc1cc(c(cc1[C@@H](N)CC(C)C)N)O 271570a_100015190218_200010235796 [0,1,0,0,1,0|2,0,0]=4 1114 B15R1.8385 Cc1cc(c(cc1[C@@H](N)CC(C)C)O)F 271570a_100015190218_100010068922 [0,1,0,0,1,0|2,0,0]=4 1115 B15R1.8385 Cc1cc(c(cc1[C@@H](N)CC(C)C)O)N 271570a_100015190218_200010107346 [0,1,0,0,1,0|2,0,0]=4 1116 B15R1.8407 CC(C)CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210624 [0,1,0,0,1,0|0,0,2]=4 1117 B15R1.8407 CC(C)CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210624 [0,1,0,0,1,0|0,0,2]=4 1118 B15R1.8407 CC(C)C[C@H](N)c1ccc(c(c1F)F)O 271570a_100015190218_100011830415 [0,1,0,0,1,0|2,0,0]=4 1119 B15R1.8407 CC(C)C[C@H](N)c1ccc(c(c1F)O)Br 271570a_100015190218_200010782288 [0,1,0,0,1,0|2,0,0]=4 1120 B15R1.8407 CC(C)C[C@H](N)c1ccc(c(c1F)O)F 271570a_100015190218_100010167067 [0,1,0,0,1,0|2,0,0]=4 1121 B15R1.8407 CC(C)C[C@H](N)c1ccc(c(c1N)O)Br 271570a_100015190218_100020748643 [0,1,0,0,1,0|2,0,0]=4 1122 B15R1.8407 CC(C)NC(=O)c1ccc(c(c1Cl)O)O 240690a_100138425928_100009910189 [0,1,0,0,1,0|0,0,2]=4 1123 B15R1.8407 Cc1c(ccc(c1C)[C@@H](N)CC(C)C)O 271570a_100015190218_100012353674 [0,1,0,0,1,0|2,0,0]=4 1124 B15R1.8407 Cc1c(ccc(c1F)[C@@H](N)CC(C)C)O 271570a_100015190218_100010390934 [0,1,0,0,1,0|2,0,0]=4 1125 B15R1.8407 Cc1c(ccc(c1N)O)[C@@H](N)CC(C)C 271570a_100015190218_100013039247 [0,1,0,0,1,0|2,0,0]=4 1126 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210624 [0,1,0,0,1,0|0,0,2]=4 1127 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210624 [0,1,0,0,1,0|0,0,2]=4 1128 B15R1.28954 CC(C)CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210624 [0,1,0,0,1,0|0,0,2]=4 1129 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)Cl)O)Cl 271570a_100015190218_100012339652 [0,1,0,0,1,0|2,0,0]=4 1130 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)F)F)O 271570a_100015190218_100000709865 [0,1,0,0,1,0|2,0,0]=4 1131 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)F)N)O 271570a_100015190218_100015475841 [0,1,0,0,1,0|2,0,0]=4 1132 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)F)O)F 271570a_100015190218_100011216917 [0,1,0,0,1,0|2,0,0]=4 1133 B15R1.28954 CC(C)C[C@H](N)c1cc(c(c(c1)F)O)N 271570a_100015190218_100011217383 [0,1,0,0,1,0|2,0,0]=4 1134 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Br)O)O 240690a_100138425928_200009992764 [0,1,0,0,1,0|0,0,2]=4 1135 B15R1.28954 CC(C)NC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100138425928_200000078382 [0,1,0,0,1,0|0,0,2]=4 1136 B15R1.28954 Cc1cc(cc(c1N)O)[C@@H](N)CC(C)C 271570a_100015190218_100010371313 [0,1,0,0,1,0|2,0,0]=4 1137 B15R1.28954 Cc1cc(cc(c1O)Br)[C@@H](N)CC(C)C 271570a_100015190218_100010982682 [0,1,0,0,1,0|2,0,0]=4 1138 B15R1.28954 Cc1cc(cc(c1O)C)[C@@H](N)CC(C)C 271570a_100015190218_100000187306 [0,1,0,0,1,0|2,0,0]=4 1139 B15R1.28954 Cc1cc(cc(c1O)Cl)[C@@H](N)CC(C)C 271570a_100015190218_200015900153 [0,1,0,0,1,0|2,0,0]=4 1140 B15R1.28954 Cc1cc(cc(c1O)N)[C@@H](N)CC(C)C 271570a_100015190218_100011825904 [0,1,0,0,1,0|2,0,0]=4 1141 B17R1.1064 CC(C)CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000210624 [0,1,0,0,0,1|1,0,1]=4 1142 B17R1.1064 CC(C)NC(=O)C(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000195394 [0,1,0,0,0,1|1,0,1]=4 1143 B17R1.1064 CC(C)NC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100000195394_100009813601 [0,1,0,0,0,1|1,0,1]=4 1144 B17R1.1065 CC(C)N(C)CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000743827 [0,1,0,0,0,1|0,0,2]=4 1145 B17R1.1065 CC(C)N(C)CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000743827 [0,1,0,0,0,1|0,0,2]=4 1146 B17R1.1147 CC(C)CCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011261404 [0,1,0,0,0,1|2,0,0]=4 1147 B17R1.4654 CC(C)CCC(C)Sc1ccc(c(c1)O)CO 62a_100000071718_100011261404 [0,1,0,0,0,1|2,0,0]=4 1148 B17R1.4654 CC(C)CCC(C)Sc1ccc(c(c1)O)CO 62a_100011261404_100000071718 [0,1,0,0,0,1|2,0,0]=4 1149 B17R1.4654 COc1ccc(cc1O)NC(C)CCC(C)C 34a_100000211920_100011261404 [0,1,0,0,0,1|2,0,0]=4 1150 B17R1.4654 COc1ccc(cc1O)SC(C)CCC(C)C 62a_100011261404_100009816560 [0,1,0,0,0,1|2,0,0]=4 1151 B17R1.5290 CC(C)CCC(C)Sc1ccc(c(c1)CO)O 62a_100000184703_100011261404 [0,1,0,0,0,1|2,0,0]=4 1152 B17R1.5290 CC(C)CCC(C)Sc1ccc(c(c1)CO)O 62a_100011261404_100000184703 [0,1,0,0,0,1|2,0,0]=4 1153 B17R1.5290 COc1cc(ccc1O)NC(C)CCC(C)C 34a_100000726020_100011261404 [0,1,0,0,0,1|2,0,0]=4 1154 B17R1.5290 COc1cc(ccc1O)SC(C)CCC(C)C 62a_100011261404_100000694246 [0,1,0,0,0,1|2,0,0]=4 1155 B17R1.23617 CC(C)CCC(C)(C)Nc1ccc(c(c1)O)O 34a_100102946323_200000037585 [0,1,0,0,0,1|2,0,0]=4 1156 B17R1.23617 CC(C)CCC(C)(C)Sc1ccc(c(c1)O)O 62a_200000037585_100009813601 [0,1,0,0,0,1|2,0,0]=4 1157 B17R1.92984 CC(C)CCC(C)Sc1cc(c(c(c1)F)O)O 62a_100011261404_100010114375 [0,1,0,0,0,1|2,0,0]=4 1158 B17R1.92984 CC(C)CCC(C)Sc1cc(c(c(c1)O)O)O 62a_100011261404_100010658518 [0,1,0,0,0,1|2,0,0]=4 1159 B17R1.1145 CC(C)(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011219605 [0,1,0,0,0,1|0,0,0]=2 1160 B17R1.1145 CC(C)(C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000743828_100000761251 [0,1,0,0,0,1|2,0,0]=4 1161 B17R1.1145 CC(C)(F)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011997219 [0,1,0,0,0,1|0,0,0]=2 1162 B17R1.1145 CC(C)(F)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020643315_100000761251 [0,1,0,0,0,1|2,0,0]=4 1163 B17R1.1145 CC(C)(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000764493 [0,1,0,0,0,1|0,0,0]=2 1164 B17R1.1145 CC(C)(O)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000751335_100000761251 [0,1,0,0,0,1|2,0,0]=4 1165 B17R1.4768 COc1ccc(cc1O)C(C)NCCC(C)C 269862a_100000210545_100000732934 [0,1,0,0,0,1|2,0,0]=4 1166 B17R1.5280 CC(C)CNCC(=O)c1ccc(c(c1)CO)O 34a_100000210953_100010262812 [0,1,0,0,0,1|0,0,2]=4 1167 B17R1.23502 CC(C)CN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000747067_100000183813 [0,1,0,0,0,1|0,0,2]=4 1168 B17R1.23502 CC(C)CN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000747067_100000761251 [0,1,0,0,0,1|2,0,0]=4 1169 B17R1.23502 CC(C)CN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000747067_100000761251 [0,1,0,0,0,1|2,0,0]=4 1170 B17R1.23502 CC(C)NC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000183996 [0,1,0,0,0,1|0,0,2]=4 1171 B17R1.23503 CC(C)C(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210198 [0,1,0,0,0,1|0,0,0]=2 1172 B17R1.23503 CC(C)C(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000211541_100000761251 [0,1,0,0,0,1|2,0,0]=4 1173 B17R1.23503 CC(F)C(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000062450 [0,1,0,0,0,1|1,0,0]=3 1174 B17R1.23503 O=C(NCC(O)c1ccc(c(c1)O)O)C(F)F 527a_100000106456_100000210393 [0,1,0,0,0,1|2,0,0]=4 1175 B17R1.24361 C=CC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000730141 [0,1,0,0,0,1|1,0,1]=4 1176 B17R1.24361 CC(CO)CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000744482_100000761251 [0,1,0,0,0,1|2,0,0]=4 1177 B17R1.24361 CCC(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000748023 [0,1,0,0,0,1|0,0,0]=2 1178 B17R1.24361 CCC(C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020588543_100000761251 [0,1,0,0,0,1|2,0,0]=4 1179 B17R1.24361 CCC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218378 [0,1,0,0,0,1|1,0,0]=3 1180 B17R1.24361 CC[C@H](C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009816398 [0,1,0,0,0,1|0,0,0]=2 1181 B17R1.24361 CNC(=O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000183359 [0,1,0,0,0,1|1,0,1]=4 1182 B17R1.24361 COC(=O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000747449 [0,1,0,0,0,1|1,0,1]=4 1183 B17R1.24361 CO[C@H](C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020591295_100000761251 [0,1,0,0,0,1|2,0,0]=4 1184 B17R1.24361 C[C@@H](CO)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000059175 [0,1,0,0,0,1|0,0,0]=2 1185 B17R1.24361 OCC(O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011219619 [0,1,0,0,0,1|1,0,0]=3 1186 B17R1.24361 OC[C@H](O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009815848 [0,1,0,0,0,1|1,0,0]=3 1187 B17R1.24361 Oc1ccc(cc1O)C(O)CNC[C@@H](O)CF 34a_100000106456_100015614560 [0,1,0,0,0,1|1,0,0]=3 1188 B17R1.1148 CC(C)N(C)C(=O)C(O)c1ccc(c(c1)O)O 240690a_200000211004_200000032065 [0,2,0,0,0,0|0,0,1]=3 1189 B17R1.5278 COc1cc(ccc1O)C(O)C(=O)CC(C)C 1458a_100000036414_100000210624 [0,2,0,0,0,0|1,0,1]=4 1190 B17R1.5278 COc1cc(ccc1O)C(O)C(=O)NC(C)C 240690a_100138425928_100000036414 [0,2,0,0,0,0|0,0,1]=3 1191 B17R1.23501 CC(C)(C)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000715429_200000032065 [0,2,0,0,0,0|0,0,1]=3 1192 B17R1.24228 C#CC(C)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000707721_200000032065 [0,2,0,0,0,0|0,0,2]=4 1193 B17R1.24228 CCC(C)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000748023 [0,2,0,0,0,0|1,0,1]=4 1194 B17R1.24228 CCC(C)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000209981_200000032065 [0,2,0,0,0,0|0,0,1]=3 1195 B17R1.24228 CC[C@H](C)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100009816398 [0,2,0,0,0,0|1,0,1]=4 1196 B17R1.24228 C[C@@H](CO)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000059175 [0,2,0,0,0,0|1,0,1]=4 1197 B17R1.24228 C[C@H](CF)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102880703_200000032065 [0,2,0,0,0,0|0,0,1]=3 1198 B17R1.24228 C[C@H](CO)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000737577_200000032065 [0,2,0,0,0,0|0,0,1]=3 1199 B17R1.707 CCN(CC(=O)c1ccc(c(c1)O)O)C(C)C 269982a_100000223864_100000183813 [0,2,0,0,0,0|0,0,2]=4 1200 B17R1.707 CCN(C[C@@H](O)c1ccc(c(c1)F)F)C(C)C 2230a_100000223864_100000761251 [0,2,0,0,0,0|2,0,0]=4 1201 B17R1.707 CCN(C[C@@H](O)c1ccc(c(c1)F)F)C(C)C 269982a_100000223864_100000761251 [0,2,0,0,0,0|2,0,0]=4 1202 B17R1.5279 CC(C)N(C)CC(=O)c1ccc(c(c1)CO)O 269982a_200000211004_100010262812 [0,2,0,0,0,0|0,0,2]=4 1203 B17R1.5279 COc1cc(ccc1O)C(=O)CN(C)C(C)C 269982a_200000211004_100010206313 [0,2,0,0,0,0|0,0,2]=4 1204 B17R1.23513 CN(CC(=O)c1ccc(c(c1)O)O)C(C)(C)C 269982a_100011215553_100000183813 [0,2,0,0,0,0|0,0,2]=4 1205 B17R1.23513 CN(C[C@@H](O)c1ccc(c(c1)F)F)C(C)(C)C 269982a_100011215553_100000761251 [0,2,0,0,0,0|2,0,0]=4 1206 B17R1.24206 CC(CO)N(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000693034_100000183813 [0,2,0,0,0,0|0,0,2]=4 1207 B17R1.24206 CC(CO)N(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000693034_100000761251 [0,2,0,0,0,0|2,0,0]=4 1208 B17R1.24206 CC(CO)N(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000693034_100000761251 [0,2,0,0,0,0|2,0,0]=4 1209 B17R1.24206 CCC(C)N(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000741768_100000183813 [0,2,0,0,0,0|0,0,2]=4 1210 B17R1.24206 CCC(C)N(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000741768_100000761251 [0,2,0,0,0,0|2,0,0]=4 1211 B17R1.24206 CCC(C)N(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000741768_100000761251 [0,2,0,0,0,0|2,0,0]=4 1212 B17R1.24206 CNC(=O)N(C)C[C@H](O)c1ccc(c(c1)O)O 273464a_100102657272_100000694638 [0,2,0,0,0,0|1,0,1]=4 1213 B17R1.4640 COc1ccc(cc1OC)C(=O)CNC(C)C 2230a_100138425928_100000184214 [0,2,0,0,0,0|0,0,2]=4 1214 B17R1.4640 COc1ccc(cc1OC)[C@@H](N)COC(C)C 34a_100009818805_100000210206 [0,2,0,0,0,0|2,0,0]=4 1215 B17R1.6636 C#CCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100011220946 [0,2,0,0,0,0|1,0,1]=4 1216 B17R1.6636 C=CCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210193 [0,2,0,0,0,0|1,0,1]=4 1217 B17R1.6636 CC(CCO)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009893172 [0,2,0,0,0,0|0,0,0]=2 1218 B17R1.6636 CCCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000211992 [0,2,0,0,0,0|1,0,1]=4 1219 B17R1.6636 CCCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000766640 [0,2,0,0,0,0|0,0,0]=2 1220 B17R1.6636 CCCC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000741246_100000761251 [0,2,0,0,0,0|2,0,0]=4 1221 B17R1.6636 CCNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100000106456_100015525214 [0,2,0,0,0,0|1,0,1]=4 1222 B17R1.6636 CCNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100015525214_100000106456 [0,2,0,0,0,0|1,0,1]=4 1223 B17R1.6636 CCNC(=O)NCC(O)c1ccc(c(c1)O)O 512a_100015525214_100000106456 [0,2,0,0,0,0|1,0,1]=4 1224 B17R1.6636 CNNC(=O)NCC(O)c1ccc(c(c1)O)O 273464a_100000106456_100016993582 [0,2,0,0,0,0|1,0,1]=4 1225 B17R1.6636 CNNC(=O)NCC(O)c1ccc(c(c1)O)O 512a_100016993582_100000106456 [0,2,0,0,0,0|1,0,1]=4 1226 B17R1.6636 COCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210968 [0,2,0,0,0,0|1,0,1]=4 1227 B17R1.6636 COCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000765312 [0,2,0,0,0,0|0,0,0]=2 1228 B17R1.6636 COC[C@@H](C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000764878_100000761251 [0,2,0,0,0,0|2,0,0]=4 1229 B17R1.6636 CSCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000184570 [0,2,0,0,0,0|1,0,1]=4 1230 B17R1.6636 C[C@@H](CC#N)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100016994482_100000761251 [0,2,0,0,0,0|2,0,0]=4 1231 B17R1.6636 C[C@H](CCO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000706166_100000761251 [0,2,0,0,0,0|2,0,0]=4 1232 B17R1.6636 C[C@H](CCO)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100000706166_100000761251 [0,2,0,0,0,0|2,0,0]=4 1233 B17R1.13317 C#CC(C)(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000038118 [0,2,0,0,0,0|0,0,0]=2 1234 B17R1.13317 C#CC(C)(C)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100000054563_100000761251 [0,2,0,0,0,0|2,0,0]=4 1235 B17R1.13317 CC(C)(C#N)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011162410 [0,2,0,0,0,0|0,0,0]=2 1236 B17R1.13317 CC(C)(CO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000210608_100000761251 [0,2,0,0,0,0|2,0,0]=4 1237 B17R1.13317 CCC(C)(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000211385_100000761251 [0,2,0,0,0,0|2,0,0]=4 1238 B17R1.13317 CCS(=O)(=O)NCC(O)c1ccc(c(c1)O)O 270084a_100000106456_100000211323 [0,2,0,0,0,0|2,0,0]=4 1239 B17R1.13317 CCS(=O)(=O)NCC(O)c1ccc(c(c1)O)O 274078a_100000106456_100000211323 [0,2,0,0,0,0|2,0,0]=4 1240 B17R1.13317 O=S(=O)(CCl)NCC(O)c1ccc(c(c1)O)O 270084a_100000106456_100000031410 [0,2,0,0,0,0|2,0,0]=4 1241 B17R1.13317 O=S(=O)(CCl)NCC(O)c1ccc(c(c1)O)O 274078a_100000106456_100000031410 [0,2,0,0,0,0|2,0,0]=4 1242 B17R1.19495 CCC(CC)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000199018_100000761251 [0,2,0,0,0,0|2,0,0]=4 1243 B17R1.19495 CC[C@@H](CO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000709445_100000761251 [0,2,0,0,0,0|2,0,0]=4 1244 B17R1.19495 O=CC(C=O)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000736813 [0,2,0,0,0,0|0,0,2]=4 1245 B17R1.19495 OCC(CO)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000759517_100000761251 [0,2,0,0,0,0|2,0,0]=4 1246 B15R2.7152 O=C(CNC1CC1)c2cccc(c2)O 34a_100000212008_100009813753 [1,0,0,1,0,0|0,0,2]=4 1247 B15R2.7152 Oc1cccc(c1)C(O)CNC2CC2 34a_100020657549_100000211595 [1,0,0,1,0,0|0,0,0]=2 1248 B15R2.6974 CC(C)NC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210206 [1,0,0,1,0,0|2,0,0]=4 1249 B15R2.6974 CC(C)NC1CC1c2ccc(cc2)Br 34a_100000755575_100000210206 [1,0,0,1,0,0|2,0,0]=4 1250 B15R2.6974 CC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210206 [1,0,0,1,0,0|2,0,0]=4 1251 B15R2.6974 CC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210206 [1,0,0,1,0,0|2,0,0]=4 1252 B15R2.6983 CC(CNC1CC1)c2ccc(cc2)O 34a_200015188644_100000211595 [1,0,0,1,0,0|1,0,0]=3 1253 B15R2.6983 Cc1ccc(cc1)C(O)CNC2CC2 34a_200020610344_100000211595 [1,0,0,1,0,0|1,0,0]=3 1254 B15R2.6983 O=C(CNC1CC1)c2ccc(cc2)O 34a_100000212008_100009814261 [1,0,0,1,0,0|0,0,2]=4 1255 B15R2.6983 OC(CNC1CC1)c2ccc(cc2)Br 34a_100020626992_100000211595 [1,0,0,1,0,0|1,0,0]=3 1256 B15R2.6983 OC(CNC1CC1)c2ccc(cc2)Cl 34a_100000212008_200011996143 [1,0,0,1,0,0|1,0,0]=3 1257 B15R2.6983 OC(CNC1CC1)c2ccc(cc2)Cl 34a_100000736658_100000211595 [1,0,0,1,0,0|1,0,0]=3 1258 B15R2.6983 OC(CSC1CC1)c2ccc(cc2)Cl 62a_200011996143_100000211595 [1,0,0,1,0,0|2,0,0]=4 1259 B15R2.6983 O[C@@H](CNC1CC1)c2ccc(cc2)F 34a_100000212008_100000720402 [1,0,0,1,0,0|1,0,0]=3 1260 B15R2.6983 O[C@@H](CSC1CC1)c2ccc(cc2)F 62a_100000720402_100000211595 [1,0,0,1,0,0|2,0,0]=4 1261 B15R2.6983 Oc1ccc(cc1)C(O)CNC2CC2 34a_100000067596_100000211595 [1,0,0,1,0,0|0,0,0]=2 1262 B15R2.8200 CC(=O)N1CCc2c1cc(c(c2)O)O 271570a_203496583355_100010742161 [1,0,0,1,0,0|1,0,1]=4 1263 B15R2.18906 Cc1ccc(cc1C)CCNC2CC2 34a_100020591374_100000211595 [1,0,0,1,0,0|2,0,0]=4 1264 B15R2.18906 Clc1ccc(cc1Cl)CCNC2CC2 34a_100000212008_100011713676 [1,0,0,1,0,0|2,0,0]=4 1265 B15R2.18906 Clc1ccc(cc1Cl)CCNC2CC2 34a_100011207230_100000211595 [1,0,0,1,0,0|2,0,0]=4 1266 B15R2.18906 Fc1ccc(cc1Cl)CCNC2CC2 34a_100000212008_100012361305 [1,0,0,1,0,0|2,0,0]=4 1267 B15R2.18906 Fc1ccc(cc1Cl)CCNC2CC2 34a_200011997520_100000211595 [1,0,0,1,0,0|2,0,0]=4 1268 B15R2.18906 Fc1ccc(cc1F)CCNC2CC2 34a_100000212008_100000690553 [1,0,0,1,0,0|2,0,0]=4 1269 B15R2.18906 Fc1ccc(cc1F)CCNC2CC2 34a_200000706328_100000211595 [1,0,0,1,0,0|2,0,0]=4 1270 B15R2.18906 Oc1ccc(cc1O)C=NNC2CC2 4a_100000701032_100000184535 [1,0,0,1,0,0|1,0,1]=4 1271 B15R2.18906 Oc1ccc(cc1O)CCNC2CC2 34a_100000210387_100000211595 [1,0,0,1,0,0|0,0,0]=2 1272 B15R2.18906 Oc1ccc(cc1O)CNCC2CC2 34a_100000010075_100000742324 [1,0,0,1,0,0|2,0,0]=4 1273 B15R2.18906 Oc1ccc(cc1O)NCCC2CC2 34a_100102946323_100000694398 [1,0,0,1,0,0|2,0,0]=4 1274 B15R2.18906 Oc1ccc(cc1O)SCCC2CC2 62a_100000764125_100009813601 [1,0,0,1,0,0|2,0,0]=4 1275 B17R2.472 CC1CCC(CC1)Nc2ccc(c(c2)O)O 34a_100102946323_200011216234 [0,0,0,1,0,1|2,0,0]=4 1276 B17R2.56364 CC1CN(C1)CC(=O)c2ccc(c(c2)O)O 269982a_100000702820_100000183813 [0,0,0,1,0,1|0,0,2]=4 1277 B17R2.56364 CC1CN(C1)C[C@@H](O)c2ccc(c(c2)F)F 2230a_100000702820_100000761251 [0,0,0,1,0,1|2,0,0]=4 1278 B17R2.56364 CC1CN(C1)C[C@@H](O)c2ccc(c(c2)F)F 269982a_100000702820_100000761251 [0,0,0,1,0,1|2,0,0]=4 1279 B17R2.56364 CC1CN(C1)C[C@@H](O)c2ccc(c(c2)F)F 34a_100000702820_100000761251 [0,0,0,1,0,1|2,0,0]=4 1280 B17R2.57150 O[C@H](CNCC1CC1)c2ccc(c(c2)F)F 2230a_100000735609_100000761251 [0,0,0,1,0,1|2,0,0]=4 1281 B17R2.57150 O[C@H](CNCC1CC1)c2ccc(c(c2)F)F 34a_100000735609_100000761251 [0,0,0,1,0,1|2,0,0]=4 1282 B17R2.57150 Oc1ccc(cc1O)C(O)CNCC2CC2 34a_100000106456_100000742324 [0,0,0,1,0,1|0,0,0]=2 1283 B17R2.57150 Oc1ccc(cc1O)C(O)CNCC2CO2 34a_100000106456_102125554688 [0,0,0,1,0,1|1,0,0]=3 1284 B17R2.56718 O=C(CC1CC1)C(O)c2ccc(c(c2)O)O 1458a_200000032065_100000742324 [0,1,0,1,0,0|1,0,1]=4 1285 B17R2.56718 O=C(NC1CC1)C(O)c2ccc(c(c2)O)O 240690a_100000212008_200000032065 [0,1,0,1,0,0|0,0,1]=3 1286 B17R2.506 CC1CCN1CC(=O)c2ccc(c(c2)O)O 269982a_100000755817_100000183813 [0,1,0,1,0,0|0,0,2]=4 1287 B17R2.506 CC1CCN1C[C@@H](O)c2ccc(c(c2)F)F 269982a_100000755817_100000761251 [0,1,0,1,0,0|2,0,0]=4 1288 B17R2.506 CC1CCN1C[C@@H](O)c2ccc(c(c2)F)F 34a_100000755817_100000761251 [0,1,0,1,0,0|2,0,0]=4 1289 B17R2.56696 CN(CC(=O)c1ccc(c(c1)O)O)C2CC2 269982a_100000226674_100000183813 [0,1,0,1,0,0|0,0,2]=4 1290 B17R2.56696 CN(C[C@@H](O)c1ccc(c(c1)F)F)C2CC2 2230a_100000226674_100000761251 [0,1,0,1,0,0|2,0,0]=4 1291 B17R2.56696 CN(C[C@@H](O)c1ccc(c(c1)F)F)C2CC2 269982a_100000226674_100000761251 [0,1,0,1,0,0|2,0,0]=4 1292 B17R2.95587 O=C(CNC1CC1)c2ccc(c(c2)CO)O 34a_100000212008_100010262812 [0,1,0,1,0,0|0,0,2]=4 1293 B17R2.56365 CC1(CC1)NC[C@@H](O)c2ccc(c(c2)F)F 2230a_100000757604_100000761251 [0,1,0,1,0,0|2,0,0]=4 1294 B17R2.57151 O[C@H](CNC1CCC1)c2ccc(c(c2)F)F 2230a_100000749019_100000761251 [0,1,0,1,0,0|2,0,0]=4 1295 B17R2.57151 O[C@H](CNC1CCC1)c2ccc(c(c2)F)F 34a_100000749019_100000761251 [0,1,0,1,0,0|2,0,0]=4 1296 B17R2.57151 O[C@H](CNC1COC1)c2ccc(c(c2)F)F 2230a_100016991112_100000761251 [0,1,0,1,0,0|2,0,0]=4 1297 B17R2.57151 Oc1ccc(cc1O)C(O)CNC2CCC2 34a_100000106456_100000749161 [0,1,0,1,0,0|0,0,0]=2 1298 B17R2.57151 Oc1ccc(cc1O)C(O)CNC2COC2 34a_100000106456_100009818527 [0,1,0,1,0,0|0,0,0]=2 1299 B17R2.186729 CC(C)NN=C1COc2c1ccc(c2O)O 4a_100000741168_200000077213 [0,1,0,1,0,0|1,0,1]=4 1300 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [1,0,0,0,1,0|0,0,2]=4 1301 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [1,0,0,0,1,0|0,0,2]=4 1302 B13R1.147 CC(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000210760 [1,0,0,0,1,0|2,0,0]=4 1303 B13R1.147 CC(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000210624 [1,0,0,0,1,0|2,0,0]=4 1304 B13R1.147 CC(C)CN(C)c1cccc(c1)O 34a_100000756613_100000210624 [1,0,0,0,1,0|2,0,0]=4 1305 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)O 271570a_100015190218_100000762945 [1,0,0,0,1,0|2,0,0]=4 1306 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [1,0,0,0,1,0|2,0,0]=4 1307 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [1,0,0,0,1,0|2,0,0]=4 1308 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [1,0,0,0,1,0|2,0,0]=4 1309 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [1,0,0,0,1,0|2,0,0]=4 1310 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [1,0,0,0,1,0|1,0,0]=3 1311 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [1,0,0,0,1,0|1,1,0]=4 1312 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)O 271570a_100015190218_100000754920 [1,0,0,0,1,0|2,0,0]=4 1313 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 240690a_100138425928_100000183914 [1,0,0,0,1,0|0,0,2]=4 1314 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 271570a_203496583355_200000152632 [1,0,0,0,1,0|0,0,2]=4 1315 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 527a_100138425928_100000183914 [1,0,0,0,1,0|0,0,2]=4 1316 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [1,0,0,0,1,0|2,0,0]=4 1317 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [1,0,0,0,1,0|2,0,0]=4 1318 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [1,0,0,0,1,0|2,0,0]=4 1319 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [1,0,0,0,1,0|1,0,0]=3 1320 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [1,0,0,0,1,0|2,0,0]=4 1321 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [1,0,0,0,1,0|2,0,0]=4 1322 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [1,0,0,0,1,0|2,0,0]=4 1323 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [1,0,0,0,1,0|2,0,0]=4 1324 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [1,0,0,0,1,0|1,0,0]=3 1325 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [1,0,0,0,1,0|1,0,0]=3 1326 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [1,0,0,0,1,0|2,0,0]=4 1327 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [1,0,0,0,1,0|2,0,0]=4 1328 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [1,0,0,0,1,0|1,0,0]=3 1329 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [1,0,0,0,1,0|1,0,0]=3 1330 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [1,0,0,0,1,0|2,0,0]=4 1331 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [1,0,0,0,1,0|2,0,0]=4 1332 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [1,0,0,0,1,0|2,0,0]=4 1333 B13R1.132 CC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000210624 [1,0,0,0,1,0|0,0,2]=4 1334 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000210624 [1,0,0,0,1,0|2,0,0]=4 1335 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000210624 [1,0,0,0,1,0|2,0,0]=4 1336 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [1,0,0,0,1,0|2,0,0]=4 1337 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [1,0,0,0,1,0|2,0,0]=4 1338 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [1,0,0,0,1,0|2,0,0]=4 1339 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [1,0,0,0,1,0|2,0,0]=4 1340 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [1,0,0,0,1,0|1,0,0]=3 1341 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)O 271570a_100015190218_100000685995 [1,0,0,0,1,0|2,0,0]=4 1342 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 240690a_100138425928_100000212099 [1,0,0,0,1,0|0,0,2]=4 1343 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 271570a_203496583355_200000152628 [1,0,0,0,1,0|0,0,2]=4 1344 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 527a_100138425928_100000212099 [1,0,0,0,1,0|0,0,2]=4 1345 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 2230a_100138425928_100000755118 [1,0,0,0,1,0|2,0,0]=4 1346 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 34a_100138425928_100000755118 [1,0,0,0,1,0|2,0,0]=4 1347 B13R1.132 CC(C)NC(C)c1ccc(cc1)Cl 2230a_100138425928_100000684792 [1,0,0,0,1,0|2,0,0]=4 1348 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 2230a_100138425928_100000743420 [1,0,0,0,1,0|2,0,0]=4 1349 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 34a_100138425928_100000743420 [1,0,0,0,1,0|2,0,0]=4 1350 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210206 [1,0,0,0,1,0|2,0,0]=4 1351 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210206 [1,0,0,0,1,0|2,0,0]=4 1352 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210206 [1,0,0,0,1,0|2,0,0]=4 1353 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [1,0,0,0,1,0|1,0,0]=3 1354 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210206 [1,0,0,0,1,0|2,0,0]=4 1355 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210206 [1,0,0,0,1,0|2,0,0]=4 1356 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210206 [1,0,0,0,1,0|2,0,0]=4 1357 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [1,0,0,0,1,0|2,0,0]=4 1358 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [1,0,0,0,1,0|1,0,0]=3 1359 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [1,0,0,0,1,0|1,0,0]=3 1360 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [1,0,0,0,1,0|2,0,0]=4 1361 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [1,0,0,0,1,0|1,0,0]=3 1362 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [1,0,0,0,1,0|1,0,0]=3 1363 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [1,0,0,0,1,0|2,0,0]=4 1364 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [1,0,0,0,1,0|2,0,0]=4 1365 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [1,0,0,0,1,0|2,0,0]=4 1366 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [1,0,0,0,1,0|2,0,0]=4 1367 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [1,0,0,0,1,0|2,0,0]=4 1368 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,0,0,0,1,0|1,0,1]=4 1369 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,0,0,0,1,0|1,0,1]=4 1370 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [1,0,0,0,1,0|1,0,1]=4 1371 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [1,0,0,0,1,0|0,0,2]=4 1372 B13R1.511 CC(C)CNc1ccc(c(c1)Br)O 34a_100011534360_100000210624 [1,0,0,0,1,0|2,0,0]=4 1373 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000210624 [1,0,0,0,1,0|2,0,0]=4 1374 B13R1.511 CC(C)CNc1ccc(c(c1)F)O 34a_100011220035_100000210624 [1,0,0,0,1,0|2,0,0]=4 1375 B13R1.511 CC(C)CNc1ccc(c(c1)F)O 7a_100011220035_100000210760 [1,0,0,0,1,0|2,0,0]=4 1376 B13R1.511 CC(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000210624 [1,0,0,0,1,0|2,0,0]=4 1377 B13R1.511 CC(C)CNc1ccc(c(c1)O)F 34a_100012017398_100000210624 [1,0,0,0,1,0|2,0,0]=4 1378 B13R1.511 CC(C)CNc1ccc(c(c1)O)F 7a_100012017398_100000210760 [1,0,0,0,1,0|2,0,0]=4 1379 B13R1.511 CC(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000210624 [1,0,0,0,1,0|1,0,0]=3 1380 B13R1.511 CC(C)COc1ccc(c(c1)Br)O 271570a_203496583355_201991077984 [1,0,0,0,1,0|2,0,0]=4 1381 B13R1.511 CC(C)CSc1ccc(c(c1)Br)O 62a_100000210624_100012361655 [1,0,0,0,1,0|2,0,0]=4 1382 B13R1.511 CC(C)CSc1ccc(c(c1)Br)O 62a_100012361655_100000210760 [1,0,0,0,1,0|2,0,0]=4 1383 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)O 62a_100000210624_100012360047 [1,0,0,0,1,0|2,0,0]=4 1384 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000210760 [1,0,0,0,1,0|2,0,0]=4 1385 B13R1.511 CC(C)CSc1ccc(c(c1)F)O 62a_100000185481_100000210760 [1,0,0,0,1,0|2,0,0]=4 1386 B13R1.511 CC(C)CSc1ccc(c(c1)F)O 62a_100000210624_100000185481 [1,0,0,0,1,0|2,0,0]=4 1387 B13R1.511 CC(C)CSc1ccc(c(c1)N)O 62a_100000210624_100000752626 [1,0,0,0,1,0|2,0,0]=4 1388 B13R1.511 CC(C)CSc1ccc(c(c1)N)O 62a_100000752626_100000210760 [1,0,0,0,1,0|2,0,0]=4 1389 B13R1.511 CC(C)CSc1ccc(c(c1)O)Br 62a_100000210624_100012356990 [1,0,0,0,1,0|2,0,0]=4 1390 B13R1.511 CC(C)CSc1ccc(c(c1)O)Br 62a_100012356990_100000210760 [1,0,0,0,1,0|2,0,0]=4 1391 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100000210624_100011356854 [1,0,0,0,1,0|2,0,0]=4 1392 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000210760 [1,0,0,0,1,0|2,0,0]=4 1393 B13R1.511 CC(C)CSc1ccc(c(c1)O)F 62a_100000210624_100000686035 [1,0,0,0,1,0|2,0,0]=4 1394 B13R1.511 CC(C)CSc1ccc(c(c1)O)F 62a_100000686035_100000210760 [1,0,0,0,1,0|2,0,0]=4 1395 B13R1.511 CC(C)CSc1ccc(c(c1)O)N 62a_100000210624_100000739049 [1,0,0,0,1,0|2,0,0]=4 1396 B13R1.511 CC(C)CSc1ccc(c(c1)O)N 62a_100000739049_100000210760 [1,0,0,0,1,0|2,0,0]=4 1397 B13R1.511 CC(C)CSc1ccc(c(c1)O)O 62a_100000210624_100009813601 [1,0,0,0,1,0|1,0,0]=3 1398 B13R1.511 CC(C)NCc1cc(=O)c(co1)O 2230a_100138425928_100000010605 [1,0,0,0,1,0|1,0,1]=4 1399 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 207a_100138425928_100011215943 [1,0,0,0,1,0|2,0,0]=4 1400 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210206 [1,0,0,0,1,0|2,0,0]=4 1401 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 2230a_100138425928_100012353900 [1,0,0,0,1,0|2,0,0]=4 1402 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 34a_100012351559_100000210206 [1,0,0,0,1,0|2,0,0]=4 1403 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 34a_100138425928_100012353900 [1,0,0,0,1,0|2,0,0]=4 1404 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 207a_100138425928_100000693810 [1,0,0,0,1,0|2,0,0]=4 1405 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210206 [1,0,0,0,1,0|2,0,0]=4 1406 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 2230a_100138425928_100012353894 [1,0,0,0,1,0|2,0,0]=4 1407 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210206 [1,0,0,0,1,0|2,0,0]=4 1408 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 34a_100138425928_100012353894 [1,0,0,0,1,0|2,0,0]=4 1409 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 207a_100138425928_100000211747 [1,0,0,0,1,0|2,0,0]=4 1410 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 2230a_100015193890_100000210206 [1,0,0,0,1,0|2,0,0]=4 1411 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 2230a_100138425928_100011206884 [1,0,0,0,1,0|2,0,0]=4 1412 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 34a_100015193890_100000210206 [1,0,0,0,1,0|2,0,0]=4 1413 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 34a_100138425928_100011206884 [1,0,0,0,1,0|2,0,0]=4 1414 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 207a_100138425928_100000690054 [1,0,0,0,1,0|2,0,0]=4 1415 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210206 [1,0,0,0,1,0|2,0,0]=4 1416 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 2230a_100138425928_100012353895 [1,0,0,0,1,0|2,0,0]=4 1417 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210206 [1,0,0,0,1,0|2,0,0]=4 1418 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 34a_100138425928_100012353895 [1,0,0,0,1,0|2,0,0]=4 1419 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 207a_100138425928_100000188533 [1,0,0,0,1,0|2,0,0]=4 1420 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210206 [1,0,0,0,1,0|2,0,0]=4 1421 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 2230a_100138425928_100000184707 [1,0,0,0,1,0|2,0,0]=4 1422 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210206 [1,0,0,0,1,0|2,0,0]=4 1423 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 34a_100138425928_100000184707 [1,0,0,0,1,0|2,0,0]=4 1424 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 207a_100138425928_100000742290 [1,0,0,0,1,0|2,0,0]=4 1425 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210206 [1,0,0,0,1,0|2,0,0]=4 1426 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 2230a_100138425928_100000717365 [1,0,0,0,1,0|2,0,0]=4 1427 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 34a_100000749334_100000210206 [1,0,0,0,1,0|2,0,0]=4 1428 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 34a_100138425928_100011934319 [1,0,0,0,1,0|2,0,0]=4 1429 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)I 2230a_100138425928_100012349665 [1,0,0,0,1,0|2,0,0]=4 1430 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)I 34a_100138425928_100012349665 [1,0,0,0,1,0|2,0,0]=4 1431 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 207a_100138425928_100000686674 [1,0,0,0,1,0|2,0,0]=4 1432 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 2230a_100000755036_100000210206 [1,0,0,0,1,0|2,0,0]=4 1433 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 2230a_100138425928_100000767054 [1,0,0,0,1,0|2,0,0]=4 1434 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 34a_100000755036_100000210206 [1,0,0,0,1,0|2,0,0]=4 1435 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 34a_100138425928_100000767054 [1,0,0,0,1,0|2,0,0]=4 1436 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 207a_100138425928_100000745630 [1,0,0,0,1,0|2,0,0]=4 1437 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210206 [1,0,0,0,1,0|2,0,0]=4 1438 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 2230a_100138425928_100000716492 [1,0,0,0,1,0|2,0,0]=4 1439 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 34a_100011219866_100000210206 [1,0,0,0,1,0|2,0,0]=4 1440 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 34a_100138425928_100011519011 [1,0,0,0,1,0|2,0,0]=4 1441 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 207a_100138425928_100000211062 [1,0,0,0,1,0|2,0,0]=4 1442 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 2230a_100000737897_100000210206 [1,0,0,0,1,0|2,0,0]=4 1443 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 2230a_100138425928_100000757363 [1,0,0,0,1,0|2,0,0]=4 1444 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 34a_100000737897_100000210206 [1,0,0,0,1,0|2,0,0]=4 1445 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 34a_100138425928_100000757363 [1,0,0,0,1,0|2,0,0]=4 1446 B13R1.511 CC(C)NCc1ccc(c(c1)F)I 207a_100138425928_100000050832 [1,0,0,0,1,0|2,0,0]=4 1447 B13R1.511 CC(C)NCc1ccc(c(c1)F)I 2230a_100138425928_100010149604 [1,0,0,0,1,0|2,0,0]=4 1448 B13R1.511 CC(C)NCc1ccc(c(c1)F)I 34a_100138425928_100010149604 [1,0,0,0,1,0|2,0,0]=4 1449 B13R1.511 CC(C)NCc1ccc(c(c1)F)O 34a_100000758358_100000210206 [1,0,0,0,1,0|1,0,0]=3 1450 B13R1.511 CC(C)NCc1ccc(c(c1)I)Br 207a_100138425928_100010146563 [1,0,0,0,1,0|2,0,0]=4 1451 B13R1.511 CC(C)NCc1ccc(c(c1)I)Br 2230a_100138425928_100010146616 [1,0,0,0,1,0|2,0,0]=4 1452 B13R1.511 CC(C)NCc1ccc(c(c1)I)Br 34a_100138425928_100010146616 [1,0,0,0,1,0|2,0,0]=4 1453 B13R1.511 CC(C)NCc1ccc(c(c1)I)Cl 207a_100138425928_100010209939 [1,0,0,0,1,0|2,0,0]=4 1454 B13R1.511 CC(C)NCc1ccc(c(c1)I)F 207a_100138425928_100010188209 [1,0,0,0,1,0|2,0,0]=4 1455 B13R1.511 CC(C)NCc1ccc(c(c1)I)F 2230a_100138425928_100010188208 [1,0,0,0,1,0|2,0,0]=4 1456 B13R1.511 CC(C)NCc1ccc(c(c1)I)F 34a_100138425928_100010188208 [1,0,0,0,1,0|2,0,0]=4 1457 B13R1.511 CC(C)NCc1ccc(c(c1)O)Cl 34a_100020636435_100000210206 [1,0,0,0,1,0|1,0,0]=3 1458 B13R1.511 CC(C)NCc1ccc(c(c1)O)F 34a_100160469508_100000210206 [1,0,0,0,1,0|1,0,0]=3 1459 B13R1.511 CC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000210206 [1,0,0,0,1,0|0,0,0]=2 1460 B13R1.511 CC(C)NCc1cnc(c(c1)Br)O 207a_100138425928_100010064886 [1,0,0,0,1,0|2,0,0]=4 1461 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [1,0,0,0,1,0|2,0,0]=4 1462 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [1,0,0,0,1,0|2,0,0]=4 1463 B13R1.511 CN(C)CCc1ccc(c(c1)O)O 269982a_100102631434_200010393615 [1,0,0,0,1,0|1,0,0]=3 1464 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [1,0,0,0,1,0|2,0,0]=4 1465 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [1,0,0,0,1,0|2,0,0]=4 1466 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 207a_100138425928_100000765772 [1,0,0,0,1,0|2,0,0]=4 1467 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 2230a_100015205234_100000210206 [1,0,0,0,1,0|2,0,0]=4 1468 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 2230a_100138425928_100000727479 [1,0,0,0,1,0|2,0,0]=4 1469 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 34a_100015205234_100000210206 [1,0,0,0,1,0|2,0,0]=4 1470 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 34a_100138425928_100000727479 [1,0,0,0,1,0|2,0,0]=4 1471 B13R1.511 Cc1cc(ccc1Cl)CNC(C)C 207a_100138425928_100000698814 [1,0,0,0,1,0|2,0,0]=4 1472 B13R1.511 Cc1cc(ccc1Cl)CNC(C)C 2230a_100138425928_100012184735 [1,0,0,0,1,0|2,0,0]=4 1473 B13R1.511 Cc1cc(ccc1Cl)CNC(C)C 34a_100138425928_100012184735 [1,0,0,0,1,0|2,0,0]=4 1474 B13R1.511 Cc1cc(ccc1F)CNC(C)C 207a_100138425928_100000748208 [1,0,0,0,1,0|2,0,0]=4 1475 B13R1.511 Cc1cc(ccc1F)CNC(C)C 2230a_100000239911_100000210206 [1,0,0,0,1,0|2,0,0]=4 1476 B13R1.511 Cc1cc(ccc1F)CNC(C)C 2230a_100138425928_100011216667 [1,0,0,0,1,0|2,0,0]=4 1477 B13R1.511 Cc1cc(ccc1F)CNC(C)C 34a_100000239911_100000210206 [1,0,0,0,1,0|2,0,0]=4 1478 B13R1.511 Cc1cc(ccc1F)CNC(C)C 34a_100138425928_100011216667 [1,0,0,0,1,0|2,0,0]=4 1479 B13R1.511 Cc1cc(ccc1O)NCC(C)C 34a_100011218179_100000210624 [1,0,0,0,1,0|2,0,0]=4 1480 B13R1.511 Cc1cc(ccc1O)NCC(C)C 7a_100011218179_100000210760 [1,0,0,0,1,0|2,0,0]=4 1481 B13R1.511 Cc1cc(ccc1O)SCC(C)C 62a_100000210624_100000186361 [1,0,0,0,1,0|2,0,0]=4 1482 B13R1.511 Cc1ccc(cc1Br)CNC(C)C 207a_100138425928_100000695567 [1,0,0,0,1,0|2,0,0]=4 1483 B13R1.511 Cc1ccc(cc1Br)CNC(C)C 2230a_100138425928_100012232412 [1,0,0,0,1,0|2,0,0]=4 1484 B13R1.511 Cc1ccc(cc1Br)CNC(C)C 34a_100138425928_100012232412 [1,0,0,0,1,0|2,0,0]=4 1485 B13R1.511 Cc1ccc(cc1C)CNC(C)C 207a_100138425928_100000229942 [1,0,0,0,1,0|2,0,0]=4 1486 B13R1.511 Cc1ccc(cc1C)CNC(C)C 2230a_100025706692_100000210206 [1,0,0,0,1,0|2,0,0]=4 1487 B13R1.511 Cc1ccc(cc1C)CNC(C)C 2230a_100138425928_100000742320 [1,0,0,0,1,0|2,0,0]=4 1488 B13R1.511 Cc1ccc(cc1C)CNC(C)C 34a_100025706692_100000210206 [1,0,0,0,1,0|2,0,0]=4 1489 B13R1.511 Cc1ccc(cc1C)CNC(C)C 34a_100138425928_100000742320 [1,0,0,0,1,0|2,0,0]=4 1490 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 207a_100138425928_100000760539 [1,0,0,0,1,0|2,0,0]=4 1491 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 2230a_100138425928_100011823929 [1,0,0,0,1,0|2,0,0]=4 1492 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 2230a_102495364989_100000210206 [1,0,0,0,1,0|2,0,0]=4 1493 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 34a_100138425928_100011823929 [1,0,0,0,1,0|2,0,0]=4 1494 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 34a_102495364989_100000210206 [1,0,0,0,1,0|2,0,0]=4 1495 B13R1.511 Cc1ccc(cc1F)CNC(C)C 207a_100138425928_100000753222 [1,0,0,0,1,0|2,0,0]=4 1496 B13R1.511 Cc1ccc(cc1F)CNC(C)C 2230a_100102708794_100000210206 [1,0,0,0,1,0|2,0,0]=4 1497 B13R1.511 Cc1ccc(cc1F)CNC(C)C 2230a_100138425928_100011217369 [1,0,0,0,1,0|2,0,0]=4 1498 B13R1.511 Cc1ccc(cc1F)CNC(C)C 34a_100102708794_100000210206 [1,0,0,0,1,0|2,0,0]=4 1499 B13R1.511 Cc1ccc(cc1F)CNC(C)C 34a_100138425928_100011217369 [1,0,0,0,1,0|2,0,0]=4 1500 B13R1.511 Cc1ccc(cc1I)CNC(C)C 207a_100138425928_100010197721 [1,0,0,0,1,0|2,0,0]=4 1501 B13R1.511 Cc1ccc(cc1I)CNC(C)C 2230a_100138425928_100010206137 [1,0,0,0,1,0|2,0,0]=4 1502 B13R1.511 Cc1ccc(cc1I)CNC(C)C 34a_100138425928_100010206137 [1,0,0,0,1,0|2,0,0]=4 1503 B13R1.511 Cc1ccc(cc1O)NCC(C)C 34a_100000759471_100000210624 [1,0,0,0,1,0|2,0,0]=4 1504 B13R1.511 Cc1ccc(cc1O)NCC(C)C 7a_100000759471_100000210760 [1,0,0,0,1,0|2,0,0]=4 1505 B13R1.511 Cc1ccc(cc1O)SCC(C)C 62a_100000210624_100000685420 [1,0,0,0,1,0|2,0,0]=4 1506 B13R1.511 Cc1ccc(cc1O)SCC(C)C 62a_100000685420_100000210760 [1,0,0,0,1,0|2,0,0]=4 1507 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,0,0,0,1,0|1,0,1]=4 1508 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,0,0,0,2,0|1,0,1]=4 1509 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210206 [0,0,0,0,2,0|0,0,2]=4 1510 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,0,0,0,2,0|1,0,1]=4 1511 B15R1.120 CC(C)CCC(C)Nc1cccc(c1)O 34a_100000210217_100011261404 [1,0,0,0,0,1|2,0,0]=4 1512 B15R1.120 CC(C)CCC(C)Sc1cccc(c1)O 62a_100011261404_100000211634 [1,0,0,0,0,1|2,0,0]=4 1513 B15R1.120 CC(C)NCC(=O)Nc1cccc(c1)O 2230a_100138425928_100011236192 [1,0,0,0,0,1|0,0,2]=4 1514 B15R1.120 CC(C)NCC(=O)Nc1cccc(c1)O 34a_100138425928_100011236192 [1,0,0,0,0,1|0,0,2]=4 1515 B15R1.8273 C=C(C)CNCC(O)c1cccc(c1)O 2230a_100020657549_100000748629 [1,0,0,0,0,1|0,0,2]=4 1516 B15R1.8273 C=C(C)CNCC(O)c1cccc(c1)O 34a_100020657549_100000748629 [1,0,0,0,0,1|0,0,2]=4 1517 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210312 [1,0,0,0,0,1|2,0,0]=4 1518 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 269862a_100000210545_100000211620 [1,0,0,0,0,1|2,0,0]=4 1519 B15R1.8273 CC(C)CCNC(C)c1cccc(c1)O 269862a_100000740644_100000185833 [1,0,0,0,0,1|2,0,0]=4 1520 B15R1.8273 CC(C)CNCC(=O)c1cccc(c1)O 34a_100000210953_100009813753 [1,0,0,0,0,1|0,0,2]=4 1521 B15R1.8273 CC(C)CNCC(O)c1cccc(c1)O 2230a_100020657549_100000210760 [1,0,0,0,0,1|0,0,0]=2 1522 B15R1.8273 CC(C)CNCC(O)c1cccc(c1)O 270004a_100020657549_100000210432 [1,0,0,0,0,1|0,0,0]=2 1523 B15R1.8273 CC(C)CNCC(O)c1cccc(c1)O 34a_100020657549_100000210624 [1,0,0,0,0,1|0,0,0]=2 1524 B15R1.8273 CC(C)OCNC(C)c1cccc(c1)O 2230a_100000740644_100000709892 [1,0,0,0,0,1|2,0,0]=4 1525 B15R1.8273 CC(O)CNCC(O)c1cccc(c1)O 2230a_100020657549_100011218427 [1,0,0,0,0,1|1,0,0]=3 1526 B15R1.8273 CC(O)CNCC(O)c1cccc(c1)O 34a_100020657549_100011218427 [1,0,0,0,0,1|1,0,0]=3 1527 B15R1.8273 C[C@@H](O)CNCC(O)c1cccc(c1)O 2230a_100020657549_100009817552 [1,0,0,0,0,1|1,0,0]=3 1528 B15R1.8273 C[C@@H](O)CNCC(O)c1cccc(c1)O 34a_100020657549_100009817552 [1,0,0,0,0,1|1,0,0]=3 1529 B15R1.8273 Oc1cccc(c1)C(O)CNCC(F)F 2230a_100020657549_100011934356 [1,0,0,0,0,1|2,0,0]=4 1530 B15R1.8273 Oc1cccc(c1)C(O)CNCC(F)F 34a_100020657549_100011934356 [1,0,0,0,0,1|2,0,0]=4 1531 B15R1.111 CC(C)CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011261404 [1,0,0,0,0,1|2,0,0]=4 1532 B15R1.111 CC(C)CCC(C)Sc1ccc(cc1)O 62a_100011261404_100000185759 [1,0,0,0,0,1|2,0,0]=4 1533 B15R1.111 CC(C)NCC(=O)Nc1ccc(cc1)O 2230a_100138425928_100000233757 [1,0,0,0,0,1|0,0,2]=4 1534 B15R1.111 CC(C)NCC(=O)Nc1ccc(cc1)O 34a_100138425928_100000233757 [1,0,0,0,0,1|0,0,2]=4 1535 B15R1.111 CC(C)NCC(C)Oc1ccc(cc1)F 2230a_100138425928_100010228477 [1,0,0,0,0,1|2,0,0]=4 1536 B15R1.111 CC(C)NCC(C)Oc1ccc(cc1)F 2230a_200020586543_100000210206 [1,0,0,0,0,1|2,0,0]=4 1537 B15R1.111 CC(C)NCC(C)Oc1ccc(cc1)F 34a_100138425928_100010228477 [1,0,0,0,0,1|2,0,0]=4 1538 B15R1.111 CC(C)NCC(C)Oc1ccc(cc1)F 34a_200020586543_100000210206 [1,0,0,0,0,1|2,0,0]=4 1539 B15R1.111 Cc1ccc(cc1)OC(C)CNC(C)C 2230a_100000763606_100000210206 [1,0,0,0,0,1|2,0,0]=4 1540 B15R1.111 Cc1ccc(cc1)OC(C)CNC(C)C 34a_100000763606_100000210206 [1,0,0,0,0,1|2,0,0]=4 1541 B15R1.882 C=C(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000748629 [1,0,0,0,0,1|0,0,2]=4 1542 B15R1.882 CC(C)CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210312 [1,0,0,0,0,1|2,0,0]=4 1543 B15R1.882 CC(C)CNCC(=O)c1ccc(cc1)O 34a_100000210953_100009814261 [1,0,0,0,0,1|0,0,2]=4 1544 B15R1.882 CC(C)CNCC(C)c1ccc(cc1)O 270004a_200015188644_100000210432 [1,0,0,0,0,1|1,0,0]=3 1545 B15R1.882 CC(C)CNCC(C)c1ccc(cc1)O 34a_200015188644_100000210624 [1,0,0,0,0,1|1,0,0]=3 1546 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210760 [1,0,0,0,0,1|1,0,0]=3 1547 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Br 270004a_100020626992_100000210432 [1,0,0,0,0,1|1,0,0]=3 1548 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210624 [1,0,0,0,0,1|1,0,0]=3 1549 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000210953_200011996143 [1,0,0,0,0,1|1,0,0]=3 1550 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210760 [1,0,0,0,0,1|1,0,0]=3 1551 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000210432 [1,0,0,0,0,1|1,0,0]=3 1552 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 34a_100000210953_200011996143 [1,0,0,0,0,1|1,0,0]=3 1553 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210624 [1,0,0,0,0,1|1,0,0]=3 1554 B15R1.882 CC(C)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000210624 [1,0,0,0,0,1|0,0,0]=2 1555 B15R1.882 CC(C)CNC[C@H](O)c1ccc(cc1)F 2230a_100000210953_100000720402 [1,0,0,0,0,1|1,0,0]=3 1556 B15R1.882 CC(C)CNC[C@H](O)c1ccc(cc1)F 34a_100000210953_100000720402 [1,0,0,0,0,1|1,0,0]=3 1557 B15R1.882 CC(C)COCC(O)c1ccc(cc1)Cl 34a_100000210257_200011996143 [1,0,0,0,0,1|2,0,0]=4 1558 B15R1.882 CC(C)COC[C@H](O)c1ccc(cc1)F 34a_100000210257_100000720402 [1,0,0,0,0,1|2,0,0]=4 1559 B15R1.882 CC(C)CSCC(O)c1ccc(cc1)Cl 62a_100000210624_200011996143 [1,0,0,0,0,1|2,0,0]=4 1560 B15R1.882 CC(C)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210760 [1,0,0,0,0,1|2,0,0]=4 1561 B15R1.882 CC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000210624_100000720402 [1,0,0,0,0,1|2,0,0]=4 1562 B15R1.882 CC(C)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210760 [1,0,0,0,0,1|2,0,0]=4 1563 B15R1.882 CC(C)NCCC(=O)c1ccc(cc1)O 2230a_100138425928_100009879949 [1,0,0,0,0,1|0,0,2]=4 1564 B15R1.882 CC(C)OCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000709892 [1,0,0,0,0,1|2,0,0]=4 1565 B15R1.882 CC(CNC[C@@H](C)O)c1ccc(cc1)O 34a_200015188644_100009817552 [1,0,0,0,0,1|2,0,0]=4 1566 B15R1.882 CC(O)CNCC(C)c1ccc(cc1)O 34a_200015188644_100011218427 [1,0,0,0,0,1|2,0,0]=4 1567 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011218427 [1,0,0,0,0,1|2,0,0]=4 1568 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100011218427 [1,0,0,0,0,1|2,0,0]=4 1569 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000210904_200011996143 [1,0,0,0,0,1|2,0,0]=4 1570 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011218427 [1,0,0,0,0,1|2,0,0]=4 1571 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000210904_200011996143 [1,0,0,0,0,1|2,0,0]=4 1572 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011218427 [1,0,0,0,0,1|2,0,0]=4 1573 B15R1.882 CC(O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100011218427 [1,0,0,0,0,1|1,0,0]=3 1574 B15R1.882 CC(O)CNC[C@H](O)c1ccc(cc1)F 2230a_100000210904_100000720402 [1,0,0,0,0,1|2,0,0]=4 1575 B15R1.882 CC(O)CNC[C@H](O)c1ccc(cc1)F 34a_100000210904_100000720402 [1,0,0,0,0,1|2,0,0]=4 1576 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100009817552 [1,0,0,0,0,1|2,0,0]=4 1577 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100009817552 [1,0,0,0,0,1|2,0,0]=4 1578 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100009817552 [1,0,0,0,0,1|2,0,0]=4 1579 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100009817552 [1,0,0,0,0,1|2,0,0]=4 1580 B15R1.882 C[C@@H](O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100009817552 [1,0,0,0,0,1|1,0,0]=3 1581 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)C 2230a_200020610344_100000210760 [1,0,0,0,0,1|1,0,0]=3 1582 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)C 270004a_200020610344_100000210432 [1,0,0,0,0,1|1,0,0]=3 1583 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)C 34a_200020610344_100000210624 [1,0,0,0,0,1|1,0,0]=3 1584 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)O 2230a_200020610344_100011218427 [1,0,0,0,0,1|2,0,0]=4 1585 B15R1.882 Cc1ccc(cc1)C(O)CNCC(C)O 34a_200020610344_100011218427 [1,0,0,0,0,1|2,0,0]=4 1586 B15R1.882 Cc1ccc(cc1)C(O)CNC[C@@H](C)O 2230a_200020610344_100009817552 [1,0,0,0,0,1|2,0,0]=4 1587 B15R1.882 Cc1ccc(cc1)C(O)CNC[C@@H](C)O 34a_200020610344_100009817552 [1,0,0,0,0,1|2,0,0]=4 1588 B15R1.882 Oc1ccc(cc1)C(O)CNCC(F)F 34a_100000067596_100011934356 [1,0,0,0,0,1|2,0,0]=4 1589 B15R1.888 C=C(C)CNCCc1ccc(c(c1)O)O 34a_100000210387_100000748629 [1,0,0,0,0,1|0,0,2]=4 1590 B15R1.888 CC(=CCCNc1ccc(c(c1)O)O)C 34a_100102946323_100011217483 [1,0,0,0,0,1|1,0,1]=4 1591 B15R1.888 CC(=CCCSc1ccc(c(c1)O)O)C 62a_100011217483_100009813601 [1,0,0,0,0,1|1,0,1]=4 1592 B15R1.888 CC(=CCNCc1ccc(c(c1)O)O)C 34a_100000010075_100000761012 [1,0,0,0,0,1|1,0,1]=4 1593 B15R1.888 CC(=O)NCCSc1ccc(c(c1)O)O 62a_100000189650_100009813601 [1,0,0,0,0,1|1,0,1]=4 1594 B15R1.888 CC(C)CCCNc1ccc(c(c1)Br)O 34a_100011534360_100011214892 [1,0,0,0,0,1|2,0,0]=4 1595 B15R1.888 CC(C)CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100011214892 [1,0,0,0,0,1|2,0,0]=4 1596 B15R1.888 CC(C)CCCNc1ccc(c(c1)F)O 34a_100011220035_100011214892 [1,0,0,0,0,1|2,0,0]=4 1597 B15R1.888 CC(C)CCCNc1ccc(c(c1)F)O 7a_100011220035_100011214892 [1,0,0,0,0,1|2,0,0]=4 1598 B15R1.888 CC(C)CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100011214892 [1,0,0,0,0,1|2,0,0]=4 1599 B15R1.888 CC(C)CCCNc1ccc(c(c1)O)F 34a_100012017398_100011214892 [1,0,0,0,0,1|2,0,0]=4 1600 B15R1.888 CC(C)CCCNc1ccc(c(c1)O)F 7a_100012017398_100011214892 [1,0,0,0,0,1|2,0,0]=4 1601 B15R1.888 CC(C)CCCNc1ccc(c(c1)O)O 34a_100102946323_100011214892 [1,0,0,0,0,1|1,0,0]=3 1602 B15R1.888 CC(C)CCCSc1ccc(c(c1)Br)O 62a_100011214892_100012361655 [1,0,0,0,0,1|2,0,0]=4 1603 B15R1.888 CC(C)CCCSc1ccc(c(c1)Br)O 62a_100012361655_100011214892 [1,0,0,0,0,1|2,0,0]=4 1604 B15R1.888 CC(C)CCCSc1ccc(c(c1)Cl)O 62a_100011214892_100012360047 [1,0,0,0,0,1|2,0,0]=4 1605 B15R1.888 CC(C)CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100011214892 [1,0,0,0,0,1|2,0,0]=4 1606 B15R1.888 CC(C)CCCSc1ccc(c(c1)F)O 62a_100000185481_100011214892 [1,0,0,0,0,1|2,0,0]=4 1607 B15R1.888 CC(C)CCCSc1ccc(c(c1)F)O 62a_100011214892_100000185481 [1,0,0,0,0,1|2,0,0]=4 1608 B15R1.888 CC(C)CCCSc1ccc(c(c1)N)O 62a_100000752626_100011214892 [1,0,0,0,0,1|2,0,0]=4 1609 B15R1.888 CC(C)CCCSc1ccc(c(c1)N)O 62a_100011214892_100000752626 [1,0,0,0,0,1|2,0,0]=4 1610 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)Br 62a_100011214892_100012356990 [1,0,0,0,0,1|2,0,0]=4 1611 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)Br 62a_100012356990_100011214892 [1,0,0,0,0,1|2,0,0]=4 1612 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)Cl 62a_100011214892_100011356854 [1,0,0,0,0,1|2,0,0]=4 1613 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100011214892 [1,0,0,0,0,1|2,0,0]=4 1614 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)F 62a_100000686035_100011214892 [1,0,0,0,0,1|2,0,0]=4 1615 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)F 62a_100011214892_100000686035 [1,0,0,0,0,1|2,0,0]=4 1616 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)N 62a_100000739049_100011214892 [1,0,0,0,0,1|2,0,0]=4 1617 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)N 62a_100011214892_100000739049 [1,0,0,0,0,1|2,0,0]=4 1618 B15R1.888 CC(C)CCCSc1ccc(c(c1)O)O 62a_100011214892_100009813601 [1,0,0,0,0,1|1,0,0]=3 1619 B15R1.888 CC(C)CCNCc1ccc(c(c1)F)O 269862a_100000758358_100000185833 [1,0,0,0,0,1|2,0,0]=4 1620 B15R1.888 CC(C)CCNCc1ccc(c(c1)F)O 34a_100000758358_100000210312 [1,0,0,0,0,1|2,0,0]=4 1621 B15R1.888 CC(C)CCNCc1ccc(c(c1)O)Cl 269862a_100020636435_100000185833 [1,0,0,0,0,1|2,0,0]=4 1622 B15R1.888 CC(C)CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210312 [1,0,0,0,0,1|2,0,0]=4 1623 B15R1.888 CC(C)CCNCc1ccc(c(c1)O)F 269862a_100160469508_100000185833 [1,0,0,0,0,1|2,0,0]=4 1624 B15R1.888 CC(C)CCNCc1ccc(c(c1)O)F 34a_100160469508_100000210312 [1,0,0,0,0,1|2,0,0]=4 1625 B15R1.888 CC(C)CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210312 [1,0,0,0,0,1|1,0,0]=3 1626 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)Cl 2230a_100000210953_100011713676 [1,0,0,0,0,1|2,0,0]=4 1627 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210760 [1,0,0,0,0,1|2,0,0]=4 1628 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)Cl 270004a_100011207230_100000210432 [1,0,0,0,0,1|2,0,0]=4 1629 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)Cl 34a_100000210953_100011713676 [1,0,0,0,0,1|2,0,0]=4 1630 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210624 [1,0,0,0,0,1|2,0,0]=4 1631 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)F 2230a_100000210953_100012361305 [1,0,0,0,0,1|2,0,0]=4 1632 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210760 [1,0,0,0,0,1|2,0,0]=4 1633 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)F 270004a_200011997520_100000210432 [1,0,0,0,0,1|2,0,0]=4 1634 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)F 34a_100000210953_100012361305 [1,0,0,0,0,1|2,0,0]=4 1635 B15R1.888 CC(C)CNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210624 [1,0,0,0,0,1|2,0,0]=4 1636 B15R1.888 CC(C)CNCCc1ccc(c(c1)F)F 2230a_100000210953_100000690553 [1,0,0,0,0,1|2,0,0]=4 1637 B15R1.888 CC(C)CNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210760 [1,0,0,0,0,1|2,0,0]=4 1638 B15R1.888 CC(C)CNCCc1ccc(c(c1)F)F 270004a_200000706328_100000210432 [1,0,0,0,0,1|2,0,0]=4 1639 B15R1.888 CC(C)CNCCc1ccc(c(c1)F)F 34a_100000210953_100000690553 [1,0,0,0,0,1|2,0,0]=4 1640 B15R1.888 CC(C)CNCCc1ccc(c(c1)F)F 34a_200000706328_100000210624 [1,0,0,0,0,1|2,0,0]=4 1641 B15R1.888 CC(C)CNCCc1ccc(c(c1)O)O 34a_100000210387_100000210624 [1,0,0,0,0,1|0,0,0]=2 1642 B15R1.888 CC(C)CSCCc1ccc(c(c1)O)O 62a_100000210624_200010393615 [1,0,0,0,0,1|1,0,0]=3 1643 B15R1.888 CC(C)NCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_100000210206 [1,0,0,0,0,1|2,0,0]=4 1644 B15R1.888 CC(C)NCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_100000210206 [1,0,0,0,0,1|2,0,0]=4 1645 B15R1.888 CC(C)NCCOc1ccc(c(c1)Cl)F 2230a_100138425928_100011936913 [1,0,0,0,0,1|2,0,0]=4 1646 B15R1.888 CC(C)NCCOc1ccc(c(c1)Cl)F 34a_100138425928_100011936913 [1,0,0,0,0,1|2,0,0]=4 1647 B15R1.888 CC(C)OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211751 [1,0,0,0,0,1|2,0,0]=4 1648 B15R1.888 CC(C)OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211751 [1,0,0,0,0,1|2,0,0]=4 1649 B15R1.888 CC(C)OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211751 [1,0,0,0,0,1|2,0,0]=4 1650 B15R1.888 CC(C)OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211751 [1,0,0,0,0,1|2,0,0]=4 1651 B15R1.888 CC(C)OCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000211751 [1,0,0,0,0,1|2,0,0]=4 1652 B15R1.888 CC(C)OCCNc1ccc(c(c1)O)F 34a_100012017398_100000211751 [1,0,0,0,0,1|2,0,0]=4 1653 B15R1.888 CC(C)OCCNc1ccc(c(c1)O)F 7a_100012017398_100000211751 [1,0,0,0,0,1|2,0,0]=4 1654 B15R1.888 CC(C)OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211751 [1,0,0,0,0,1|1,0,0]=3 1655 B15R1.888 CC(C)OCCSc1ccc(c(c1)Br)O 62a_100000211751_100012361655 [1,0,0,0,0,1|2,0,0]=4 1656 B15R1.888 CC(C)OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211751 [1,0,0,0,0,1|2,0,0]=4 1657 B15R1.888 CC(C)OCCSc1ccc(c(c1)Cl)O 62a_100000211751_100012360047 [1,0,0,0,0,1|2,0,0]=4 1658 B15R1.888 CC(C)OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211751 [1,0,0,0,0,1|2,0,0]=4 1659 B15R1.888 CC(C)OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211751 [1,0,0,0,0,1|2,0,0]=4 1660 B15R1.888 CC(C)OCCSc1ccc(c(c1)F)O 62a_100000211751_100000185481 [1,0,0,0,0,1|2,0,0]=4 1661 B15R1.888 CC(C)OCCSc1ccc(c(c1)N)O 62a_100000211751_100000752626 [1,0,0,0,0,1|2,0,0]=4 1662 B15R1.888 CC(C)OCCSc1ccc(c(c1)N)O 62a_100000752626_100000211751 [1,0,0,0,0,1|2,0,0]=4 1663 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)Br 62a_100000211751_100012356990 [1,0,0,0,0,1|2,0,0]=4 1664 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)Br 62a_100012356990_100000211751 [1,0,0,0,0,1|2,0,0]=4 1665 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)Cl 62a_100000211751_100011356854 [1,0,0,0,0,1|2,0,0]=4 1666 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000211751 [1,0,0,0,0,1|2,0,0]=4 1667 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)F 62a_100000211751_100000686035 [1,0,0,0,0,1|2,0,0]=4 1668 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)F 62a_100000686035_100000211751 [1,0,0,0,0,1|2,0,0]=4 1669 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)N 62a_100000211751_100000739049 [1,0,0,0,0,1|2,0,0]=4 1670 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)N 62a_100000739049_100000211751 [1,0,0,0,0,1|2,0,0]=4 1671 B15R1.888 CC(C)OCCSc1ccc(c(c1)O)O 62a_100000211751_100009813601 [1,0,0,0,0,1|1,0,0]=3 1672 B15R1.888 CC(C)OCNCc1ccc(c(c1)F)O 34a_100000758358_100000709892 [1,0,0,0,0,1|2,0,0]=4 1673 B15R1.888 CC(C)OCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000709892 [1,0,0,0,0,1|2,0,0]=4 1674 B15R1.888 CC(C)OCNCc1ccc(c(c1)O)F 34a_100160469508_100000709892 [1,0,0,0,0,1|2,0,0]=4 1675 B15R1.888 CC(C)OCNCc1ccc(c(c1)O)O 34a_100000010075_100000709892 [1,0,0,0,0,1|1,0,0]=3 1676 B15R1.888 CC(C)SCCNc1ccc(c(c1)Br)O 34a_100011534360_100000730970 [1,0,0,0,0,1|2,0,0]=4 1677 B15R1.888 CC(C)SCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000730970 [1,0,0,0,0,1|2,0,0]=4 1678 B15R1.888 CC(C)SCCNc1ccc(c(c1)F)O 34a_100011220035_100000730970 [1,0,0,0,0,1|2,0,0]=4 1679 B15R1.888 CC(C)SCCNc1ccc(c(c1)F)O 7a_100011220035_100000730970 [1,0,0,0,0,1|2,0,0]=4 1680 B15R1.888 CC(C)SCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000730970 [1,0,0,0,0,1|2,0,0]=4 1681 B15R1.888 CC(C)SCCNc1ccc(c(c1)O)F 34a_100012017398_100000730970 [1,0,0,0,0,1|2,0,0]=4 1682 B15R1.888 CC(C)SCCNc1ccc(c(c1)O)F 7a_100012017398_100000730970 [1,0,0,0,0,1|2,0,0]=4 1683 B15R1.888 CC(C)SCCNc1ccc(c(c1)O)O 34a_100102946323_100000730970 [1,0,0,0,0,1|1,0,0]=3 1684 B15R1.888 CC(C)SCCSc1ccc(c(c1)Br)O 62a_100000730970_100012361655 [1,0,0,0,0,1|2,0,0]=4 1685 B15R1.888 CC(C)SCCSc1ccc(c(c1)Br)O 62a_100012361655_100000730970 [1,0,0,0,0,1|2,0,0]=4 1686 B15R1.888 CC(C)SCCSc1ccc(c(c1)Cl)O 62a_100000730970_100012360047 [1,0,0,0,0,1|2,0,0]=4 1687 B15R1.888 CC(C)SCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000730970 [1,0,0,0,0,1|2,0,0]=4 1688 B15R1.888 CC(C)SCCSc1ccc(c(c1)F)O 62a_100000185481_100000730970 [1,0,0,0,0,1|2,0,0]=4 1689 B15R1.888 CC(C)SCCSc1ccc(c(c1)F)O 62a_100000730970_100000185481 [1,0,0,0,0,1|2,0,0]=4 1690 B15R1.888 CC(C)SCCSc1ccc(c(c1)N)O 62a_100000730970_100000752626 [1,0,0,0,0,1|2,0,0]=4 1691 B15R1.888 CC(C)SCCSc1ccc(c(c1)N)O 62a_100000752626_100000730970 [1,0,0,0,0,1|2,0,0]=4 1692 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)Br 62a_100000730970_100012356990 [1,0,0,0,0,1|2,0,0]=4 1693 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)Br 62a_100012356990_100000730970 [1,0,0,0,0,1|2,0,0]=4 1694 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)Cl 62a_100000730970_100011356854 [1,0,0,0,0,1|2,0,0]=4 1695 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000730970 [1,0,0,0,0,1|2,0,0]=4 1696 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)F 62a_100000686035_100000730970 [1,0,0,0,0,1|2,0,0]=4 1697 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)F 62a_100000730970_100000686035 [1,0,0,0,0,1|2,0,0]=4 1698 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)N 62a_100000730970_100000739049 [1,0,0,0,0,1|2,0,0]=4 1699 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)N 62a_100000739049_100000730970 [1,0,0,0,0,1|2,0,0]=4 1700 B15R1.888 CC(C)SCCSc1ccc(c(c1)O)O 62a_100000730970_100009813601 [1,0,0,0,0,1|1,0,0]=3 1701 B15R1.888 CC(O)CCCNc1ccc(c(c1)O)O 34a_100102946323_200000718107 [1,0,0,0,0,1|2,0,0]=4 1702 B15R1.888 CC(O)CCCSc1ccc(c(c1)O)O 62a_200000718107_100009813601 [1,0,0,0,0,1|2,0,0]=4 1703 B15R1.888 CC(O)CCNCc1ccc(c(c1)O)O 34a_100000010075_100012276601 [1,0,0,0,0,1|2,0,0]=4 1704 B15R1.888 CC(O)CNCCc1ccc(c(c1)O)O 34a_100000210387_100011218427 [1,0,0,0,0,1|1,0,0]=3 1705 B15R1.888 CC(O)CSCCc1ccc(c(c1)O)O 62a_100011218427_200010393615 [1,0,0,0,0,1|2,0,0]=4 1706 B15R1.888 C[C@@H](O)CNCCc1ccc(c(c1)O)O 34a_100000210387_100009817552 [1,0,0,0,0,1|1,0,0]=3 1707 B15R1.888 C[C@@H](O)CSCCc1ccc(c(c1)O)O 62a_100009817552_200010393615 [1,0,0,0,0,1|2,0,0]=4 1708 B15R1.888 Cc1cc(ccc1Cl)OCCNC(C)C 2230a_100025718798_100000210206 [1,0,0,0,0,1|2,0,0]=4 1709 B15R1.888 Cc1cc(ccc1Cl)OCCNC(C)C 34a_100025718798_100000210206 [1,0,0,0,0,1|2,0,0]=4 1710 B15R1.888 Cc1cc(ccc1O)NCCCC(C)C 34a_100011218179_100011214892 [1,0,0,0,0,1|2,0,0]=4 1711 B15R1.888 Cc1cc(ccc1O)NCCCC(C)C 7a_100011218179_100011214892 [1,0,0,0,0,1|2,0,0]=4 1712 B15R1.888 Cc1cc(ccc1O)NCCOC(C)C 34a_100011218179_100000211751 [1,0,0,0,0,1|2,0,0]=4 1713 B15R1.888 Cc1cc(ccc1O)NCCOC(C)C 7a_100011218179_100000211751 [1,0,0,0,0,1|2,0,0]=4 1714 B15R1.888 Cc1cc(ccc1O)NCCSC(C)C 34a_100011218179_100000730970 [1,0,0,0,0,1|2,0,0]=4 1715 B15R1.888 Cc1cc(ccc1O)NCCSC(C)C 7a_100011218179_100000730970 [1,0,0,0,0,1|2,0,0]=4 1716 B15R1.888 Cc1cc(ccc1O)SCCCC(C)C 62a_100011214892_100000186361 [1,0,0,0,0,1|2,0,0]=4 1717 B15R1.888 Cc1cc(ccc1O)SCCOC(C)C 62a_100000211751_100000186361 [1,0,0,0,0,1|2,0,0]=4 1718 B15R1.888 Cc1cc(ccc1O)SCCSC(C)C 62a_100000730970_100000186361 [1,0,0,0,0,1|2,0,0]=4 1719 B15R1.888 Cc1ccc(cc1C)CCNCC(C)C 2230a_100020591374_100000210760 [1,0,0,0,0,1|2,0,0]=4 1720 B15R1.888 Cc1ccc(cc1C)CCNCC(C)C 270004a_100020591374_100000210432 [1,0,0,0,0,1|2,0,0]=4 1721 B15R1.888 Cc1ccc(cc1C)CCNCC(C)C 34a_100020591374_100000210624 [1,0,0,0,0,1|2,0,0]=4 1722 B15R1.888 Cc1ccc(cc1C)OCCNC(C)C 2230a_100015185357_100000210206 [1,0,0,0,0,1|2,0,0]=4 1723 B15R1.888 Cc1ccc(cc1C)OCCNC(C)C 2230a_100138425928_200011210794 [1,0,0,0,0,1|2,0,0]=4 1724 B15R1.888 Cc1ccc(cc1C)OCCNC(C)C 34a_100015185357_100000210206 [1,0,0,0,0,1|2,0,0]=4 1725 B15R1.888 Cc1ccc(cc1C)OCCNC(C)C 34a_100138425928_200011210794 [1,0,0,0,0,1|2,0,0]=4 1726 B15R1.888 Cc1ccc(cc1O)NCCCC(C)C 34a_100000759471_100011214892 [1,0,0,0,0,1|2,0,0]=4 1727 B15R1.888 Cc1ccc(cc1O)NCCCC(C)C 7a_100000759471_100011214892 [1,0,0,0,0,1|2,0,0]=4 1728 B15R1.888 Cc1ccc(cc1O)NCCOC(C)C 34a_100000759471_100000211751 [1,0,0,0,0,1|2,0,0]=4 1729 B15R1.888 Cc1ccc(cc1O)NCCOC(C)C 7a_100000759471_100000211751 [1,0,0,0,0,1|2,0,0]=4 1730 B15R1.888 Cc1ccc(cc1O)NCCSC(C)C 34a_100000759471_100000730970 [1,0,0,0,0,1|2,0,0]=4 1731 B15R1.888 Cc1ccc(cc1O)NCCSC(C)C 7a_100000759471_100000730970 [1,0,0,0,0,1|2,0,0]=4 1732 B15R1.888 Cc1ccc(cc1O)SCCCC(C)C 62a_100000685420_100011214892 [1,0,0,0,0,1|2,0,0]=4 1733 B15R1.888 Cc1ccc(cc1O)SCCCC(C)C 62a_100011214892_100000685420 [1,0,0,0,0,1|2,0,0]=4 1734 B15R1.888 Cc1ccc(cc1O)SCCOC(C)C 62a_100000211751_100000685420 [1,0,0,0,0,1|2,0,0]=4 1735 B15R1.888 Cc1ccc(cc1O)SCCOC(C)C 62a_100000685420_100000211751 [1,0,0,0,0,1|2,0,0]=4 1736 B15R1.888 Cc1ccc(cc1O)SCCSC(C)C 62a_100000685420_100000730970 [1,0,0,0,0,1|2,0,0]=4 1737 B15R1.888 Cc1ccc(cc1O)SCCSC(C)C 62a_100000730970_100000685420 [1,0,0,0,0,1|2,0,0]=4 1738 B15R1.888 Oc1ccc(cc1O)CCNCC(F)F 34a_100000210387_100011934356 [1,0,0,0,0,1|2,0,0]=4 1739 B15R1.3908 CCCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_200011215066 [1,0,0,0,0,1|2,0,0]=4 1740 B15R1.3908 CCCCC(C)Sc1ccc(c(c1)O)O 62a_200011215066_100009813601 [1,0,0,0,0,1|2,0,0]=4 1741 B17R1.1062 CC(C)CCC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100011261404 [0,0,0,0,0,2|2,0,0]=4 1742 B17R1.1062 Cc1cc(ccc1Cl)OCC(O)CNC(C)C 2230a_100011226696_100000210206 [0,0,0,0,0,2|2,0,0]=4 1743 B17R1.1062 Cc1cc(ccc1Cl)OCC(O)CNC(C)C 34a_100011226696_100000210206 [0,0,0,0,0,2|2,0,0]=4 1744 B17R1.1146 C=C(C)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000730704 [0,0,0,0,0,2|0,0,2]=4 1745 B17R1.1146 CC(=CCNCC(O)c1ccc(c(c1)O)O)C 34a_100000106456_100000761012 [0,0,0,0,0,2|0,0,1]=3 1746 B17R1.1146 CC(=O)OCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009813279 [0,0,0,0,0,2|1,0,1]=4 1747 B17R1.1146 CC(C)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210312 [0,0,0,0,0,2|0,0,0]=2 1748 B17R1.1146 CC(C)OCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000709892 [0,0,0,0,0,2|0,0,0]=2 1749 B17R1.1146 CC(O)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100012276601 [0,0,0,0,0,2|1,0,0]=3