0 B21R1.106916 CC1CC(C(=O)O1)NCCCCCCCCCCCCO 2230a_100000066677_200000216747 [1,0,0,0,0,0|2,0,1]=4 1 B21R1.106916 CC1CC(C(=O)O1)NCCCCCCCCCCCCO 34a_100000066677_200000216747 [1,0,0,0,0,0|2,0,1]=4 2 B21R1.106916 CC1CC(C(=O)O1)OCCCCCCCCCCCCBr 34a_100009813331_200000216747 [1,0,0,0,0,0|2,0,1]=4 3 B21R1.106916 CC1CC(C(=O)O1)OCCCCCCCCCCCCBr 7a_100009813331_200000216747 [1,0,0,0,0,0|2,0,1]=4 4 B21R1.106916 CC1CC(C(=O)O1)OCCCCCCCCCCCCN 34a_100000066677_200000216747 [1,0,0,0,0,0|2,0,1]=4 5 B21R1.106916 CC1CC(C(=O)O1)SCCCCCCCCCCCCO 62a_100009813331_200000216747 [1,0,0,0,0,0|2,0,1]=4 6 B21R1.106916 CCCCCCCCCCCCCNC1CC(OC1=O)C 2230a_100011215765_200000216747 [1,0,0,0,0,0|1,0,1]=3 7 B21R1.106916 CCCCCCCCCCCCCNC1CC(OC1=O)C 34a_100011215765_200000216747 [1,0,0,0,0,0|1,0,1]=3 8 B21R1.106916 CCCCCCCCCCCCCOC1CC(OC1=O)C 34a_100000185773_200000216747 [1,0,0,0,0,0|1,0,1]=3 9 B21R1.106916 CCCCCCCCCCCCCOC1CC(OC1=O)C 7a_100000185773_200000216747 [1,0,0,0,0,0|1,0,1]=3 10 B21R1.106916 CCCCCCCCCCCCCSC1CC(OC1=O)C 62a_200000216747_100011934334 [1,0,0,0,0,0|1,0,1]=3 11 B21R1.106916 CCCCCCCCCCSCCOC1CC(OC1=O)C 34a_100011628728_200000216747 [1,0,0,0,0,0|2,0,1]=4 12 B21R1.106916 CCCCCCCCCCSCCOC1CC(OC1=O)C 7a_100011628728_200000216747 [1,0,0,0,0,0|2,0,1]=4 13 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)OCC 11a_100011215765_100014798877 [1,0,1,0,0,0|1,0,1]=4 14 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)OCC 1626a_100011215765_100014798877 [1,0,1,0,0,0|1,0,1]=4 15 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)OCC 240690a_100011215765_100014798877 [1,0,1,0,0,0|1,0,1]=4 16 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100011215765_100000737577 [1,0,1,0,0,0|2,0,0]=4 17 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100011215765 [1,0,1,0,0,0|2,0,0]=4 18 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100011215765 [1,0,1,0,0,0|2,0,0]=4 19 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100011215765_100000737577 [1,0,1,0,0,0|2,0,0]=4 20 B20R0.109 CCCCCCCCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100011215765_100000691806 [1,0,1,0,0,0|2,0,0]=4 21 B20R1.16861 CCCCCCCCCCCCNC1CC(OC1=O)C 2230a_100000210451_200000216747 [2,0,0,0,0,0|1,0,1]=4 22 B20R1.16861 CCCCCCCCCCCCNC1CC(OC1=O)C 34a_100000210451_200000216747 [2,0,0,0,0,0|1,0,1]=4 23 B20R1.16861 CCCCCCCCCCCCOC1CC(OC1=O)C 34a_100000210810_200000216747 [2,0,0,0,0,0|1,0,1]=4 24 B20R1.16861 CCCCCCCCCCCCOC1CC(OC1=O)C 7a_100000210810_200000216747 [2,0,0,0,0,0|1,0,1]=4 25 B20R1.16861 CCCCCCCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000759014 [2,0,0,0,0,0|1,0,1]=4 26 B20R1.65958 CCCCCCCCCCCCCNC1CCOC1=O 2230a_100011215765_100000211211 [2,0,0,0,0,0|1,0,1]=4 27 B20R1.65958 CCCCCCCCCCCCCNC1CCOC1=O 34a_100011215765_100000211211 [2,0,0,0,0,0|1,0,1]=4 28 B20R1.65958 CCCCCCCCCCCCCOC1CCOC1=O 34a_100000185773_100000211211 [2,0,0,0,0,0|1,0,1]=4 29 B20R1.65958 CCCCCCCCCCCCCOC1CCOC1=O 7a_100000185773_100000211211 [2,0,0,0,0,0|1,0,1]=4 30 B20R1.65958 CCCCCCCCCCCCCSC1CCOC1=O 62a_100000211211_100011934334 [2,0,0,0,0,0|1,0,1]=4 31 B22R1.120384 CCCCCCCCCCCCCC(=O)C1CC(OC1=O)C 1458a_100000756256_200000216747 [1,1,0,0,0,0|0,0,1]=3 32 B22R1.327124 CC1CC(C(=O)O1)OCCCCCCCCCCCCCBr 34a_100009812470_200000216747 [1,1,0,0,0,0|1,0,1]=4 33 B22R1.327124 CC1CC(C(=O)O1)OCCCCCCCCCCCCCBr 7a_100009812470_200000216747 [1,1,0,0,0,0|1,0,1]=4 34 B22R1.327124 CC1CC(C(=O)O1)SCCCCCCCCCCCCCO 62a_100009812470_200000216747 [1,1,0,0,0,0|1,0,1]=4 35 B22R1.327124 CCCCCCCCCCCCCCNC1CC(OC1=O)C 2230a_100011217771_200000216747 [1,1,0,0,0,0|0,0,2]=4 36 B22R1.327124 CCCCCCCCCCCCCCNC1CC(OC1=O)C 34a_100011217771_200000216747 [1,1,0,0,0,0|0,0,2]=4 37 B22R1.327124 CCCCCCCCCCCCCCOC1CC(OC1=O)C 34a_100000210739_200000216747 [1,1,0,0,0,0|0,0,2]=4 38 B22R1.327124 CCCCCCCCCCCCCCOC1CC(OC1=O)C 7a_100000210739_200000216747 [1,1,0,0,0,0|0,0,2]=4 39 B22R1.327124 CCCCCCCCCCCOCCOC1CC(OC1=O)C 34a_100010166600_200000216747 [1,1,0,0,0,0|1,0,1]=4 40 B22R1.327124 CCCCCCCCCCCOCCOC1CC(OC1=O)C 7a_100010166600_200000216747 [1,1,0,0,0,0|1,0,1]=4 41 B22R1.328277 CCCCCCCCCCCCC(C)OC1CC(OC1=O)C 34a_200011215752_200000216747 [1,1,0,0,0,0|1,0,1]=4 42 B22R1.328277 CCCCCCCCCCCCC(C)OC1CC(OC1=O)C 7a_200011215752_200000216747 [1,1,0,0,0,0|1,0,1]=4