0 B17R1.5286 CC(=NNC(C)(C)C)c1ccc(c(c1)CO)O 4a_100000725372_100000025453 [0,0,0,0,0,0|3,0,1]=4 1 B17R1.5286 CC(C)(C)OCC(=O)c1ccc(c(c1)CO)O 34a_100015890283_100010262812 [0,0,0,0,0,0|2,0,2]=4 2 B17R1.5286 CC(C)(C)OCC(=O)c1ccc(c(c1)CO)O 7a_100015890283_100010262812 [0,0,0,0,0,0|2,0,2]=4 3 B17R1.5286 CC(C)(C)SCC(=O)c1ccc(c(c1)CO)O 62a_100000211941_100010262812 [0,0,0,0,0,0|2,0,2]=4 4 B17R1.5286 CC(C)(C)SCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_100000211941 [0,0,0,0,0,0|2,0,2]=4 5 B16R1.4709 CC(C)NCC(=O)c1ccc(c(c1)CO)O 34a_100138425928_100010262812 [1,0,0,0,0,0|1,0,2]=4 6 B16R1.4728 CC(C)(C)CCSc1ccc(c(c1)CO)O 62a_100000184703_100000755188 [1,0,0,0,0,0|3,0,0]=4 7 B16R1.4728 CC(C)(C)CCSc1ccc(c(c1)CO)O 62a_100000755188_100000184703 [1,0,0,0,0,0|3,0,0]=4 8 B16R1.4728 COc1cc(ccc1O)CCNC(C)(C)C 2230a_100000715429_100010741665 [1,0,0,0,0,0|3,0,0]=4 9 B16R1.4728 COc1cc(ccc1O)CCNC(C)(C)C 34a_100000756042_100000210625 [1,0,0,0,0,0|3,0,0]=4 10 B16R1.16536 CC(C)(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210625 [1,0,0,0,0,0|1,0,0]=2 11 B16R1.16536 CC(C)(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000715429_100000761251 [1,0,0,0,0,0|3,0,0]=4 12 B18R1.5574 CC(C)(C)N([13CH3])CC(O)c1ccc(c(c1)CO)O 2230a_100000014303_200025704644 [0,1,0,0,0,0|1,0,0]=2 13 B18R1.5574 CC(C)(C)N([13CH3])CC(O)c1ccc(c(c1)CO)O 269982a_100000014303_200025704644 [0,1,0,0,0,0|1,0,0]=2 14 B18R1.5574 CN(CC(=O)c1ccc(c(c1)CO)O)C(C)(C)C 269982a_100011215553_100010262812 [0,1,0,0,0,0|1,0,2]=4 15 B18R1.5574 CN(CC(O)c1ccc(c(c1)CO)O)C(C)(C)C 2230a_100000014303_200000210301 [0,1,0,0,0,0|1,0,0]=2 16 B18R1.5574 CN(CC(O)c1ccc(c(c1)CO)O)C(C)(C)C 269982a_100000014303_200000210301 [0,1,0,0,0,0|1,0,0]=2 17 B18R1.277939 CC(C)(C)NCC(O)c1ccc(c(c1)CO)O[13CH3] 34a_100000014303_200025704644 [0,1,0,0,0,0|1,0,0]=2 18 B18R1.277939 COc1ccc(cc1CO)C(O)CNC(C)(C)C 34a_100000014303_200000210301 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.889 CC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210206 [2,0,0,0,0,0|1,0,0]=3 20 B15R1.61 CC(C)(C)CCSc1cccc(n1)CO 62a_100000694195_100000755188 [2,0,0,0,0,0|2,0,0]=4 21 B15R1.61 CC(C)(C)CCSc1cccc(n1)CO 62a_100000755188_100000694195 [2,0,0,0,0,0|2,0,0]=4 22 B15R1.61 CC(C)(C)CNCc1cccc(n1)CO 207a_100000743828_200000070131 [2,0,0,0,0,0|2,0,0]=4 23 B15R1.61 CC(C)(C)CNCc1cccc(n1)CO 2230a_100000743828_100009813551 [2,0,0,0,0,0|2,0,0]=4 24 B15R1.61 CC(C)(C)CNCc1cccc(n1)CO 270004a_100000743828_200000070131 [2,0,0,0,0,0|2,0,0]=4 25 B15R1.61 CC(C)(C)CSCc1cccc(n1)CO 62a_100009813551_100011219605 [2,0,0,0,0,0|2,0,0]=4 26 B15R1.61 CC(C)(C)CSCc1cccc(n1)CO 62a_100011219605_100009813551 [2,0,0,0,0,0|2,0,0]=4 27 B15R1.61 CC(C)(C)NN=Cc1cccc(n1)CO 4a_100000725372_200000070131 [2,0,0,0,0,0|1,0,1]=4 28 B15R1.887 CC(C)(C)NCCc1ccc(c(c1)O)O 34a_100000210387_100000210625 [2,0,0,0,0,0|1,0,0]=3 29 B15R1.887 CC(C)(C)OCCc1ccc(c(c1)O)O 7a_100015890283_200010393615 [2,0,0,0,0,0|2,0,0]=4 30 B15R1.887 CC(C)(C)SCCc1ccc(c(c1)O)O 62a_100000211941_200010393615 [2,0,0,0,0,0|2,0,0]=4 31 B15R1.887 Cc1ccc(cc1C)CCNC(C)(C)C 34a_100020591374_100000210625 [2,0,0,0,0,0|2,0,0]=4 32 B15R1.887 Cc1nc(ccc1O)SCCC(C)(C)C 62a_100000755188_100010233687 [2,0,0,0,0,0|2,0,0]=4 33 B15R1.887 Cc1nc(ccc1O)SCCC(C)(C)C 62a_100010233687_100000755188 [2,0,0,0,0,0|2,0,0]=4 34 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000210625 [2,0,0,0,0,0|2,0,0]=4 35 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000715429_200011996143 [2,0,0,0,0,0|2,0,0]=4 36 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210625 [2,0,0,0,0,0|2,0,0]=4 37 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000210625 [2,0,0,0,0,0|1,0,0]=3 38 B15R1.892 CC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000715429_100000720402 [2,0,0,0,0,0|2,0,0]=4 39 B15R1.892 CC(CNC(C)(C)C)c1ccc(cc1)O 34a_200015188644_100000210625 [2,0,0,0,0,0|2,0,0]=4 40 B15R1.892 Cc1ccc(cc1)C(O)CNC(C)(C)C 34a_200020610344_100000210625 [2,0,0,0,0,0|2,0,0]=4 41 B15R1.8277 CC(C)(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210625 [2,0,0,0,0,0|1,0,0]=3 42 B17R1.13317 C#CC(C)(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000038118 [1,1,0,0,0,0|1,0,1]=4 43 B17R1.13317 CC(C)(C#N)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011162410 [1,1,0,0,0,0|1,0,1]=4 44 B17R1.23501 CC(C)(C)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000715429_200000032065 [1,1,0,0,0,0|1,0,1]=4 45 B19R1.5346 CC(C)(C)N(CF)CC(O)c1ccc(c(c1)CO)O 269982a_100000014303_100015361967 [0,2,0,0,0,0|1,0,0]=3 46 B19R1.5346 CCN(CC(O)c1ccc(c(c1)CO)O)C(C)(C)C 2230a_100000014303_100000210202 [0,2,0,0,0,0|1,0,0]=3 47 B19R1.5346 CCN(CC(O)c1ccc(c(c1)CO)O)C(C)(C)C 269982a_100000014303_100000204670 [0,2,0,0,0,0|1,0,0]=3 48 B19R1.211637 CC(C)(C)NCC(O)c1ccc(c(c1)CO)OCF 34a_100000014303_100015361967 [0,2,0,0,0,0|1,0,0]=3 49 B19R1.211637 CCOc1ccc(cc1CO)C(O)CNC(C)(C)C 34a_100000014303_100000210202 [0,2,0,0,0,0|1,0,0]=3 50 B17R2.154323 CC(C)(C)NCCc1ccc2c(c1)CCO2 2230a_100000715429_100000763274 [1,0,0,1,0,0|2,0,0]=4 51 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)O 271570a_100015190218_100000184703 [1,0,0,0,1,0|2,0,0]=4 52 B15R1.4027 CC(C)(C)CSc1ccc(c(c1)CO)O 62a_100000184703_100011219605 [1,0,0,0,1,0|2,0,0]=4 53 B15R1.4027 CC(C)(C)CSc1ccc(c(c1)CO)O 62a_100011219605_100000184703 [1,0,0,0,1,0|2,0,0]=4 54 B15R1.4027 CC(C)(C)NCc1ccc(c(c1)CO)Br 207a_100000715429_100015639582 [1,0,0,0,1,0|2,0,0]=4 55 B17R1.1145 CC(C)(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011219605 [1,0,0,0,0,1|1,0,0]=3 56 B17R1.1145 CC(C)(F)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011997219 [1,0,0,0,0,1|2,0,0]=4