0 B20R2.152960 CC(=O)OCC(O)COc1cccc2c1cc([nH]2)C 34a_200000059750_200000139349 [0,0,0,0,0,0|2,0,1]=3 1 B20R2.152960 CC(=O)OCC(O)CSc1cccc2c1cc([nH]2)C 62a_200000139349_100010143266 [0,0,0,0,0,0|2,1,1]=4 2 B20R2.152960 CC(=O)SCC(C)COc1cccc2c1cc([nH]2)C 34a_200000059750_200000116872 [0,0,0,0,0,0|3,0,1]=4 3 B20R2.152960 Cc1cc2c(cccc2[nH]1)OCC(=O)NCC(C)C 34a_200000059750_100000183291 [0,0,0,0,0,0|2,0,2]=4 4 B19R2.7657 CC(=O)CCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100009817362 [1,0,0,0,0,0|2,0,1]=4 5 B19R2.7657 CC(=O)OCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100000042594 [1,0,0,0,0,0|2,0,1]=4 6 B19R2.7657 CC(=O)SCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100000038929 [1,0,0,0,0,0|2,0,1]=4 7 B19R2.7657 CC(=S)OCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_200135323944 [1,0,0,0,0,0|2,0,1]=4 8 B19R2.7657 CC(C)CCCCOc1cccc2c1cn(n2)C 34a_100000106842_100011216152 [1,0,0,0,0,0|2,0,1]=4 9 B19R2.7657 Cc1cc2c(cccc2[nH]1)OCCCCC(C)C 34a_200000059750_100011216152 [1,0,0,0,0,0|1,0,0]=2 10 B19R2.7657 Cc1cc2c(cccc2[nH]1)SCCCCC(C)C 62a_100011216152_100010143266 [1,0,0,0,0,0|1,1,0]=3 11 B19R2.7657 Cc1cc2c(ccnc2[nH]1)SCCCCC(C)C 62a_100011216152_100010202352 [1,0,0,0,0,0|2,1,0]=4 12 B19R2.7657 Cc1nc2c(cccc2[nH]1)SCCCCC(C)C 62a_100011216152_100012360556 [1,0,0,0,0,0|2,1,0]=4 13 B19R2.1022145 CC(=O)OCC(O)COc1cccc2c1cc[nH]2 34a_100000763377_200000139349 [1,0,0,0,0,0|2,0,1]=4 14 B21R3.467361 Cc1cc2c(cccc2[nH]1)SCC3COC(O3)(C)C 62a_100000198056_100010143266 [0,0,0,1,0,0|1,1,0]=3 15 B21R3.467361 Cc1cc2c(cccc2[nH]1)SC[C@H]3COC(O3)(C)C 62a_100015422573_100010143266 [0,0,0,1,0,0|1,1,0]=3 16 B21R3.467361 Cc1cc2c(ccnc2[nH]1)SCC3COC(O3)(C)C 62a_100000198056_100010202352 [0,0,0,1,0,0|2,1,0]=4 17 B21R3.467361 Cc1cc2c(ccnc2[nH]1)SC[C@H]3COC(O3)(C)C 62a_100015422573_100010202352 [0,0,0,1,0,0|2,1,0]=4 18 B21R3.467361 Cc1nc2c(cccc2[nH]1)SCC3COC(O3)(C)C 62a_100000198056_100012360556 [0,0,0,1,0,0|2,1,0]=4 19 B21R3.467361 Cc1nc2c(cccc2[nH]1)SC[C@H]3COC(O3)(C)C 62a_100015422573_100012360556 [0,0,0,1,0,0|2,1,0]=4 20 B19R2.7658 Cc1cc2c(cccc2[nH]1)OC(C)CCC(C)C 34a_200000059750_100011261404 [0,0,0,0,1,0|2,0,0]=3 21 B19R2.7658 Cc1cc2c(cccc2[nH]1)SC(C)CCC(C)C 62a_100011261404_100010143266 [0,0,0,0,1,0|2,1,0]=4 22 B19R2.101040 Cc1cc2c(cccc2[nH]1)OCC(=O)NC(C)C 34a_200000059750_100000183996 [0,0,0,0,1,0|0,0,2]=3 23 B19R2.101040 Cc1cc2c(cccc2[nH]1)OCC(=O)OC(C)C 34a_200000059750_100011215430 [0,0,0,0,1,0|1,0,2]=4 24 B19R2.101040 Cc1cc2c(cccc2[nH]1)SCC(=O)NC(C)C 62a_100000183996_100010143266 [0,0,0,0,1,0|0,1,2]=4 25 B19R2.101040 Cc1cc2c(cccc2[nH]1)SCC(C)CN(C)C 62a_100015348159_100010143266 [0,0,0,0,1,0|2,1,0]=4 26 B18R1.21078 CC(=O)Nc1cccc(c1)OCCCCC(C)C 34a_100000158604_100011216152 [1,0,1,0,0,0|2,0,0]=4 27 B18R1.21078 CC(=O)Nc1cccc(c1)OCCCCC(C)C 7a_100000158604_100011216152 [1,0,1,0,0,0|2,0,0]=4 28 B18R2.16177 CC/C=C\CCOc1cccc2c1cc([nH]2)C 34a_200000059750_100015370543 [2,0,0,0,0,0|1,0,1]=4 29 B18R2.16177 CCCCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100000210314 [2,0,0,0,0,0|1,0,0]=3 30 B18R2.16177 CCCCCCSc1cccc2c1cc([nH]2)C 62a_100000210314_100010143266 [2,0,0,0,0,0|1,1,0]=4 31 B18R2.16177 CCCCOCOc1cccc2c1cc([nH]2)C 34a_200000059750_100011995733 [2,0,0,0,0,0|2,0,0]=4 32 B18R2.16177 CCCOCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100011215938 [2,0,0,0,0,0|2,0,0]=4 33 B18R2.16177 CCOCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100012232248 [2,0,0,0,0,0|1,0,0]=3 34 B18R2.16177 CCOCCCSc1cccc2c1cc([nH]2)C 62a_100012232248_100010143266 [2,0,0,0,0,0|1,1,0]=4 35 B18R2.16177 COCCCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100000755781 [2,0,0,0,0,0|2,0,0]=4 36 B18R2.16177 Cc1cc2c(cccc2[nH]1)OCCCCCF 34a_200000059750_100000729378 [2,0,0,0,0,0|2,0,0]=4 37 B18R2.16177 Cc1cc2c(cccc2[nH]1)OCCCCCO 34a_200000059750_100000746330 [2,0,0,0,0,0|2,0,0]=4 38 B18R2.71557 CC(C)CCCCOc1cccc2c1cc[nH]2 34a_100000763377_100011216152 [2,0,0,0,0,0|1,0,0]=3 39 B18R2.71557 CC(C)CCCCOc1cccc2c1ccs2 34a_100000077759_100011216152 [2,0,0,0,0,0|2,0,0]=4 40 B18R2.71557 CC(C)CCCCOc1cccc2c1ccs2 7a_100000077759_100011216152 [2,0,0,0,0,0|2,0,0]=4 41 B18R2.71557 CC(C)CCCCSc1cccc2c1cc[nH]2 62a_100011216152_100000685724 [2,0,0,0,0,0|1,1,0]=4 42 B18R2.124423 CCCC(C)COc1cccc2c1cc([nH]2)C 34a_200000059750_100011216630 [2,0,0,0,0,0|1,0,0]=3 43 B18R2.124423 CCCC(C)CSc1cccc2c1cc([nH]2)C 62a_100011216630_100010143266 [2,0,0,0,0,0|1,1,0]=4 44 B18R2.124423 CCNC(=O)COc1cccc2c1cc([nH]2)C 34a_200000059750_100000183381 [2,0,0,0,0,0|0,0,2]=4 45 B18R2.124423 COCC(O)COc1cccc2c1cc([nH]2)C 34a_200000059750_100011215053 [2,0,0,0,0,0|1,0,0]=3 46 B18R2.124423 COCC(O)CSc1cccc2c1cc([nH]2)C 62a_100011215053_100010143266 [2,0,0,0,0,0|1,1,0]=4 47 B20R2.8795 Cc1cc2c(cccc2[nH]1)SCCC(=O)NC(C)C 62a_100000737564_100010143266 [1,1,0,0,0,0|0,1,1]=4 48 B20R2.202134 COC(=O)C[C@@H](O)COc1cccc2c1cc([nH]2)C 34a_200000059750_100000754131 [1,1,0,0,0,0|2,0,0]=4 49 B20R2.828499 CCCCC(CC)COc1cccc2c1cc([nH]2)C 34a_200000059750_100000211942 [1,1,0,0,0,0|2,0,0]=4 50 B20R2.152683 Cc1cc2c(cccc2[nH]1)OC(C)(C)CCC(C)C 34a_200000059750_200000037585 [0,1,0,0,1,0|2,0,0]=4 51 B20R2.152964 Cc1cc2c(cccc2[nH]1)OC(C)C(=O)NC(C)C 34a_200000059750_100000195394 [0,1,0,0,1,0|1,0,1]=4 52 B20R2.152939 Cc1cc2c(cccc2[nH]1)OCC(=O)NC(C)(C)C 34a_200000059750_100000182746 [0,1,0,0,1,0|0,0,2]=4 53 B20R2.152939 Cc1cc2c(cccc2[nH]1)OCC(O)C[N+](C)(C)C 34a_200000059750_100000032816 [0,1,0,0,1,0|1,0,0]=3 54 B20R2.152939 Cc1cc2c(cccc2[nH]1)SCC(O)C[N+](C)(C)C 62a_100000032816_100010143266 [0,1,0,0,1,0|1,1,0]=4 55 B20R2.152983 Cc1cc2c(cccc2[nH]1)OCC(=O)N(C)C(C)C 34a_200000059750_100000230190 [0,1,0,0,1,0|0,0,2]=4 56 B20R2.261572 CC(=O)Nc1cccc(c1)OC[C@H]2COC(O2)(C)C 7a_100000158604_100015422573 [0,0,1,1,0,0|2,0,0]=4 57 B20R3.85736 Cc1cc2c(cccc2[nH]1)OCC3CCN(C3)C 34a_200000059750_200000690779 [1,0,0,1,0,0|2,0,0]=4 58 B20R3.8059 Cc1cc2c(cccc2[nH]1)OC3CCCCC3F 34a_200000059750_100015423560 [1,0,0,1,0,0|2,0,0]=4 59 B20R3.8059 Cc1cc2c(cccc2[nH]1)OC3CCCCC3O 34a_200000059750_100000038908 [1,0,0,1,0,0|1,0,0]=3 60 B20R3.8059 Cc1cc2c(cccc2[nH]1)SC3CCCCC3O 62a_100000038908_100010143266 [1,0,0,1,0,0|1,1,0]=4 61 B20R3.14321 Cc1cc2c(cccc2[nH]1)OCC3CCCCC3 34a_200000059750_100000211423 [1,0,0,1,0,0|2,0,0]=4 62 B20R3.14321 Cc1cc2c(cccc2[nH]1)OCC3CCCCO3 34a_200000059750_100000211543 [1,0,0,1,0,0|1,0,0]=3 63 B20R3.14321 Cc1cc2c(cccc2[nH]1)OCC3CCCOC3 34a_200000059750_100000741521 [1,0,0,1,0,0|2,0,0]=4 64 B20R3.14321 Cc1cc2c(cccc2[nH]1)SCC3CCCCO3 62a_100000211543_100010143266 [1,0,0,1,0,0|1,1,0]=4 65 B20R3.14613658 CC1(OCC(O1)CSc2cccc3c2cc[nH]3)C 62a_100000198056_100000685724 [1,0,0,1,0,0|1,1,0]=4 66 B20R3.14613658 CC1(OC[C@@H](O1)COc2cccc3c2ccs3)C 7a_100000077759_100015422573 [1,0,0,1,0,0|2,0,0]=4 67 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cccc3c2cc[nH]3)C 62a_100015422573_100000685724 [1,0,0,1,0,0|1,1,0]=4 68 B20R3.5306 Cc1cc2c(cccc2[nH]1)OC3CCC(CC3)C 34a_200000059750_200011216234 [0,0,0,1,1,0|2,0,0]=4 69 B22R3.258835 Cc1cnc2c(cccc2c1)OC[C@H]3COC(O3)(C)C 7a_100000144662_100015422573 [0,0,0,1,0,1|2,0,0]=4 70 B22R3.705813 Cc1cc2c(cccc2[nH]1)OCC3CCN(C3)C(C)C 34a_200000059750_100015187125 [0,0,0,1,0,1|1,0,0]=3 71 B22R3.705813 Cc1cc2c(cccc2[nH]1)SCC3CCN(C3)C(C)C 62a_100015187125_100010143266 [0,0,0,1,0,1|1,1,0]=4 72 B22R3.5529316 Cc1ccc2cccc(c2c1)OC[C@H]3COC(O3)(C)C 7a_100000040781_100015422573 [0,0,0,1,0,1|2,0,0]=4 73 B22R3.13839 COC1CCC(CC1)COc2cccc3c2cc([nH]3)C 34a_200000059750_100013032858 [0,1,0,1,0,0|2,0,0]=4 74 B18R2.6448 CC(=CCCOc1cccc2c1cc([nH]2)C)C 34a_200000059750_100011217483 [1,0,0,0,1,0|0,0,2]=4 75 B18R2.6448 CC(=O)CCCOc1cccc2c1cc([nH]2)C 34a_200000059750_100000685027 [1,0,0,0,1,0|1,0,1]=4 76 B18R2.6448 CC(C)CCCOc1cccc2c1cn(n2)C 34a_100000106842_100011214892 [1,0,0,0,1,0|1,0,1]=4 77 B18R2.6448 Cc1cc2c(cccc2[nH]1)OCCCC(C)C 34a_200000059750_100011214892 [1,0,0,0,1,0|0,0,0]=2 78 B18R2.6448 Cc1cc2c(cccc2[nH]1)OCCCC(C)O 34a_200000059750_200000718107 [1,0,0,0,1,0|1,0,0]=3 79 B18R2.6448 Cc1cc2c(cccc2[nH]1)OCCOC(C)C 34a_200000059750_100000211751 [1,0,0,0,1,0|1,0,0]=3 80 B18R2.6448 Cc1cc2c(cccc2[nH]1)OCCSC(C)C 34a_200000059750_100000730970 [1,0,0,0,1,0|1,0,0]=3 81 B18R2.6448 Cc1cc2c(cccc2[nH]1)SCCCC(C)C 62a_100011214892_100010143266 [1,0,0,0,1,0|0,1,0]=3 82 B18R2.6448 Cc1cc2c(cccc2[nH]1)SCCCC(C)O 62a_200000718107_100010143266 [1,0,0,0,1,0|1,1,0]=4 83 B18R2.6448 Cc1cc2c(cccc2[nH]1)SCCOC(C)C 62a_100000211751_100010143266 [1,0,0,0,1,0|1,1,0]=4 84 B18R2.6448 Cc1cc2c(cccc2[nH]1)SCCSC(C)C 62a_100000730970_100010143266 [1,0,0,0,1,0|1,1,0]=4 85 B18R2.6448 Cc1cc2c(ccnc2[nH]1)SCCCC(C)C 62a_100011214892_100010202352 [1,0,0,0,1,0|1,1,0]=4 86 B18R2.6448 Cc1nc2c(cccc2[nH]1)SCCCC(C)C 62a_100011214892_100012360556 [1,0,0,0,1,0|1,1,0]=4 87 B18R2.123283 CCCCC(C)Oc1cccc2c1cc([nH]2)C 34a_200000059750_200011215066 [1,0,0,0,1,0|2,0,0]=4 88 B18R2.154610 CC(C)CCC(C)Oc1cccc2c1cc[nH]2 34a_100000763377_100011261404 [1,0,0,0,1,0|2,0,0]=4 89 B18R2.560567 CC(C)NC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000183996 [1,0,0,0,1,0|0,0,2]=4 90 B18R2.65551 Cc1cc2c(cccc2[nH]1)OC(C)CC(C)C 34a_200000059750_100000731052 [0,0,0,0,2,0|1,0,0]=3 91 B18R2.65551 Cc1cc2c(cccc2[nH]1)SC(C)CC(C)C 62a_100000731052_100010143266 [0,0,0,0,2,0|1,1,0]=4 92 B18R2.65535 Cc1cc2c(cccc2[nH]1)OCC(=O)C(C)C 34a_200000059750_100000753385 [0,0,0,0,2,0|0,0,2]=4 93 B20R2.4802 Cc1cnc2c(cccc2c1)OCCCCC(C)C 34a_100000144662_100011216152 [1,0,0,0,0,1|2,0,0]=4 94 B20R2.4802 Cc1cnc2c(cccc2c1)OCCCCC(C)C 7a_100000144662_100011216152 [1,0,0,0,0,1|2,0,0]=4 95 B20R2.8796 Cc1cc2c(cccc2[nH]1)OCCCCCC(C)C 34a_200000059750_100000210682 [1,0,0,0,0,1|1,0,0]=3 96 B20R2.8796 Cc1cc2c(cccc2[nH]1)SCCCCCC(C)C 62a_100000210682_100010143266 [1,0,0,0,0,1|1,1,0]=4 97 B20R2.72929 Cc1ccc2cccc(c2c1)OCCCCC(C)C 34a_100000040781_100011216152 [1,0,0,0,0,1|2,0,0]=4 98 B20R2.72929 Cc1ccc2cccc(c2c1)OCCCCC(C)C 7a_100000040781_100011216152 [1,0,0,0,0,1|2,0,0]=4 99 B22R2.303249 Cc1cc2c(cccc2[nH]1)OCCC(C)CCCC(C)C 34a_200000059750_100009816328 [0,0,0,0,0,2|2,0,0]=4